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Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).
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1 – 15 de 169 résultats
1

Ethyl hydrogen malonate, 90+%

CAS: 1071-46-1 Formule moléculaire: C5H8O4 Poids moléculaire (g/mol): 132.115 Numéro MDL: MFCD00020490 Clé InChI: HGINADPHJQTSKN-UHFFFAOYSA-N Synonyme: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate CID PubChem: 70615 ChEBI: CHEBI:86907 Nom IUPAC: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

Poids moléculaire (g/mol) 132.115
Synonyme ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate
Numéro MDL MFCD00020490
CAS 1071-46-1
CID PubChem 70615
ChEBI CHEBI:86907
Nom IUPAC 3-ethoxy-3-oxopropanoic acid
Clé InChI HGINADPHJQTSKN-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)O
Formule moléculaire C5H8O4
2

Diethyl 2-(2-cyanoethyl)malonate, 98+%

CAS: 17216-62-5 Formule moléculaire: C10H15NO4 Poids moléculaire (g/mol): 213.233 Numéro MDL: MFCD00001966 Clé InChI: YJJLOESDBPRZIP-UHFFFAOYSA-N CID PubChem: 87005 Nom IUPAC: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC

Poids moléculaire (g/mol) 213.233
Numéro MDL MFCD00001966
CAS 17216-62-5
CID PubChem 87005
Nom IUPAC diethyl 2-(2-cyanoethyl)propanedioate
Clé InChI YJJLOESDBPRZIP-UHFFFAOYSA-N
SMILES CCOC(=O)C(CCC#N)C(=O)OCC
Formule moléculaire C10H15NO4
3

Ethyl acetoacetate, 99+%

CAS: 141-97-9 Formule moléculaire: C6H10O3 Poids moléculaire (g/mol): 130.143 Numéro MDL: MFCD00009199 Clé InChI: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonyme: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate CID PubChem: 8868 ChEBI: CHEBI:4893 Nom IUPAC: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Poids moléculaire (g/mol) 130.143
Synonyme ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
Numéro MDL MFCD00009199
CAS 141-97-9
CID PubChem 8868
ChEBI CHEBI:4893
Nom IUPAC ethyl 3-oxobutanoate
Clé InChI XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)C
Formule moléculaire C6H10O3
4

Malonic acid disodium salt, 99%

CAS: 141-95-7 Formule moléculaire: C3H2Na2O4 Poids moléculaire (g/mol): 148.025 Numéro MDL: MFCD00002708 Clé InChI: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonyme: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt CID PubChem: 8865 ChEBI: CHEBI:62983 Nom IUPAC: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Poids moléculaire (g/mol) 148.025
Synonyme sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt
Numéro MDL MFCD00002708
CAS 141-95-7
CID PubChem 8865
ChEBI CHEBI:62983
Nom IUPAC disodium;propanedioate
Clé InChI PRWXGRGLHYDWPS-UHFFFAOYSA-L
SMILES C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Formule moléculaire C3H2Na2O4
5

Diethyl benzylmalonate, 97%

CAS: 607-81-8 Formule moléculaire: C14H18O4 Poids moléculaire (g/mol): 250.294 Numéro MDL: MFCD00009166 Clé InChI: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonyme: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate CID PubChem: 69090 Nom IUPAC: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

Poids moléculaire (g/mol) 250.294
Synonyme diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate
Numéro MDL MFCD00009166
CAS 607-81-8
CID PubChem 69090
Nom IUPAC diethyl 2-benzylpropanedioate
Clé InChI ICZLTZWATFXDLP-UHFFFAOYSA-N
SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
Formule moléculaire C14H18O4
6

Ethyl propionylacetate, 95%

CAS: 4949-44-4 Formule moléculaire: C7H12O3 Poids moléculaire (g/mol): 144.17 Numéro MDL: MFCD00009317 Clé InChI: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonyme: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate CID PubChem: 78656 Nom IUPAC: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Poids moléculaire (g/mol) 144.17
Synonyme ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate
Numéro MDL MFCD00009317
CAS 4949-44-4
CID PubChem 78656
Nom IUPAC ethyl 3-oxopentanoate
Clé InChI UDRCONFHWYGWFI-UHFFFAOYSA-N
SMILES CCC(=O)CC(=O)OCC
Formule moléculaire C7H12O3
7

Diethyl tert-butylmalonate, 96%

CAS: 759-24-0 Formule moléculaire: C11H20O4 Poids moléculaire (g/mol): 216.28 Numéro MDL: MFCD00009152 Clé InChI: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonyme: diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate CID PubChem: 69798 Nom IUPAC: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

Poids moléculaire (g/mol) 216.28
Synonyme diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate
Numéro MDL MFCD00009152
CAS 759-24-0
CID PubChem 69798
Nom IUPAC diethyl 2-tert-butylpropanedioate
Clé InChI RJNICNBRGVKNSR-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(=O)OCC)C(C)(C)C
Formule moléculaire C11H20O4
8

Benzyl tert-butyl malonate, 95%

CAS: 72594-86-6 Formule moléculaire: C14H18O4 Poids moléculaire (g/mol): 250.294 Numéro MDL: MFCD01075175 Clé InChI: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonyme: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n CID PubChem: 2736712 Nom IUPAC: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1

Poids moléculaire (g/mol) 250.294
Synonyme benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n
Numéro MDL MFCD01075175
CAS 72594-86-6
CID PubChem 2736712
Nom IUPAC 1-O-benzyl 3-O-tert-butyl propanedioate
Clé InChI XKXXXODAXXAFNP-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
Formule moléculaire C14H18O4
9

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Formule moléculaire: C8H14O3 Poids moléculaire (g/mol): 158.197 Numéro MDL: MFCD00008811 Clé InChI: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonyme: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate CID PubChem: 15538 Nom IUPAC: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

Poids moléculaire (g/mol) 158.197
Synonyme tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
Numéro MDL MFCD00008811
CAS 1694-31-1
CID PubChem 15538
Nom IUPAC tert-butyl 3-oxobutanoate
Clé InChI JKUYRAMKJLMYLO-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)OC(C)(C)C
Formule moléculaire C8H14O3
10

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Formule moléculaire: C7H12O3 Poids moléculaire (g/mol): 144.17 Numéro MDL: MFCD00009164 Clé InChI: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonyme: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester CID PubChem: 701 Nom IUPAC: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Poids moléculaire (g/mol) 144.17
Synonyme ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
Numéro MDL MFCD00009164
CAS 609-14-3
CID PubChem 701
Nom IUPAC ethyl 2-methyl-3-oxobutanoate
Clé InChI FNENWZWNOPCZGK-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)C(=O)C
Formule moléculaire C7H12O3
11

Methyl 2-oxocyclopentanecarboxylate, 97%

CAS: 10472-24-9 Formule moléculaire: C7H10O3 Poids moléculaire (g/mol): 142.154 Numéro MDL: MFCD00001411 Clé InChI: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonyme: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane CID PubChem: 66328 Nom IUPAC: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

Poids moléculaire (g/mol) 142.154
Synonyme methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane
Numéro MDL MFCD00001411
CAS 10472-24-9
CID PubChem 66328
Nom IUPAC methyl 2-oxocyclopentane-1-carboxylate
Clé InChI PZBBESSUKAHBHD-UHFFFAOYSA-N
SMILES COC(=O)C1CCCC1=O
Formule moléculaire C7H10O3
12

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%

CAS: 6289-46-9 Formule moléculaire: C10H12O6 Poids moléculaire (g/mol): 228.20 Numéro MDL: MFCD00001607 Clé InChI: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonyme: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester CID PubChem: 94866 SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

Poids moléculaire (g/mol) 228.20
Synonyme dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
Numéro MDL MFCD00001607
CAS 6289-46-9
CID PubChem 94866
Clé InChI MHKKFFHWMKEBDW-UHFFFAOYNA-N
SMILES COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Formule moléculaire C10H12O6
13

Ethyl potassium malonate, 98%

CAS: 6148-64-7 Formule moléculaire: C5H7KO4 Poids moléculaire (g/mol): 170.205 Numéro MDL: MFCD00035603 Clé InChI: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonyme: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate CID PubChem: 3446434 Nom IUPAC: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

Poids moléculaire (g/mol) 170.205
Synonyme ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate
Numéro MDL MFCD00035603
CAS 6148-64-7
CID PubChem 3446434
Nom IUPAC potassium;3-ethoxy-3-oxopropanoate
Clé InChI WVUCPRGADMCTBN-UHFFFAOYSA-M
SMILES CCOC(=O)CC(=O)[O-].[K+]
Formule moléculaire C5H7KO4
14

Dibenzyl malonate, 95%

CAS: 15014-25-2 Formule moléculaire: C17H16O4 Poids moléculaire (g/mol): 284.311 Numéro MDL: MFCD00004779 Clé InChI: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonyme: dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form CID PubChem: 84754 Nom IUPAC: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2

Poids moléculaire (g/mol) 284.311
Synonyme dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form
Numéro MDL MFCD00004779
CAS 15014-25-2
CID PubChem 84754
Nom IUPAC dibenzyl propanedioate
Clé InChI RYFCSKVXWRJEOB-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
Formule moléculaire C17H16O4
15

Dimethyl allylmalonate, 97%

CAS: 40637-56-7 Formule moléculaire: C8H12O4 Poids moléculaire (g/mol): 172.18 Numéro MDL: MFCD00014959 Clé InChI: VZNFVLWVVHHMBG-UHFFFAOYSA-N Synonyme: dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester CID PubChem: 574826 Nom IUPAC: dimethyl 2-prop-2-enylpropanedioate SMILES: COC(=O)C(CC=C)C(=O)OC

Poids moléculaire (g/mol) 172.18
Synonyme dimethyl allylmalonate,dimethyl 2-allylmalonate,propanedioic acid, 2-propenyl-, dimethyl ester,1,3-dimethyl 2-prop-2-en-1-yl propanedioate,dimethyl allyl-malonate,acmc-1bnbn,dimethyl 2-allylmalonate #,2-allyl-propanedioic acid dimethyl ester,2-prop-2-enylpropanedioic acid dimethyl ester
Numéro MDL MFCD00014959
CAS 40637-56-7
CID PubChem 574826
Nom IUPAC dimethyl 2-prop-2-enylpropanedioate
Clé InChI VZNFVLWVVHHMBG-UHFFFAOYSA-N
SMILES COC(=O)C(CC=C)C(=O)OC
Formule moléculaire C8H12O4