1,3-dicarbonyl compounds

Diethyl phenylmalonate, 98%, ACROS Organics™

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-phenylpropanedioate, diethyl 2-phenylmalonate, diethyl 2-phenylpropane-1,3-dioate, diethyl phenylmalonate, diethyl-phenylmalonate, diethylphenylmalonate, malonic acid, phenyl-, diethyl ester, phenylmalonic acid diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, propanedioic acid, phenyl-, diethyl ester PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Alfa Aesar™ Malonic acid, 99%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Diethyl malonate, 99+%, ACROS Organics™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: 1,3-diethyl propanedioate, carbethoxyacetic ester, dicarbethoxymethane, diethyl malonate, ethyl malonate van, ethyl propanedioate, malonic acid diethyl ester, malonic acid, diethyl ester, malonic ester, propanedioic acid, diethyl ester PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Alfa Aesar™ Malonic acid, Reagent Grade, 99.5+%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Alfa Aesar™ Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: 2-methyl-3-oxobutanoic acid ethyl ester, 2-methylacetoacetic acid ethyl ester, butanoic acid, 2-methyl-3-oxo-, ethyl ester, ethyl 2-acetylpropionate, ethyl 2-methyl-3-oxobutyrate, ethyl 2-methylacetoacetate, ethyl alpha-methylacetylacetate, ethyl methylacetoacetate, ethyl-2-methyl acetoacetate, ethyl2-methylacetoacetate PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Ethyl acetoacetate, 99%, pure, ACROS Organics™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Tartronic acid, 98%, Alfa Aesar™

CAS: 80-69-3 Molecular Formula: C3H4O5 Molecular Weight (g/mol): 120.06 MDL Number: MFCD00004237 InChI Key: ROBFUDYVXSDBQM-UHFFFAOYSA-N Synonym: 2-hydroxymalonate, 2-hydroxymalonic acid, 2-tartronic acid, hydroxymalonate, hydroxymalonic acid, hydroxypropanedioic acid, malonic acid, hydroxy, propanedioic acid, hydroxy, tartronic acid, tartronicacid PubChem CID: 45 ChEBI: CHEBI:16513 IUPAC Name: 2-hydroxypropanedioic acid SMILES: C(C(=O)O)(C(=O)O)O

Alfa Aesar™ Diethyl n-butylmalonate, 99%

CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: butylmalonic acid diethyl ester, cyy2q744wb, diethyl 2-butylmalonate, diethyl butylmalonate, diethyl n-butylmalonate, ethyl butylmalonate, malonic acid, butyl-, diethyl ester, n-butylmalonic acid diethyl ester, propanedioic acid, butyl-, diethyl ester, unii-cyy2q744wb PubChem CID: 67244 IUPAC Name: diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC

Disodium Malonate, TCI America™

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: dicarboxymethane disodium salt, disodium malonate, disodium propanedioate, malonic acid disodium salt, malonic acid, disodium salt, malonic acid, sodium salt, propanedioic acid, disodium salt, propanedioic acid, sodium salt 1:2, sodium malonate, unii-9qwe64m39h PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Diethyl Cyclopentylmalonate 95.0+%, TCI America™

CAS: 18928-91-1 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.288 MDL Number: MFCD00059514 InChI Key: WXPOKLNJWFXXQO-UHFFFAOYSA-N Synonym: Cyclopentylmalonic Acid Diethyl Ester PubChem CID: 249269 IUPAC Name: diethyl 2-cyclopentylpropanedioate SMILES: CCOC(=O)C(C1CCCC1)C(=O)OCC

Cyclopentylmalonic Acid 98.0+%, TCI America™

CAS: 5660-81-1 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00059515 InChI Key: DRHLPIHNSBNMFF-UHFFFAOYSA-N PubChem CID: 231700 IUPAC Name: 2-cyclopentylpropanedioic acid SMILES: C1CCC(C1)C(C(=O)O)C(=O)O

Alfa Aesar™ Isopropylmalonic acid, 98+%

CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: .alpha.-carboxyisovaleric acid, 2-isopropylmalonic acid, 2-isopropylpropanedioic acid, 2-propan-2-yl propanedioic acid, iso-propyl malonic acid, isopropyl malonic acid, isopropylmalonic acid, isopropylmalonsaure, malonic acid, isopropyl, propanedioic acid, 1-methylethyl PubChem CID: 69037 IUPAC Name: 2-propan-2-ylpropanedioic acid SMILES: CC(C)C(C(=O)O)C(=O)O

Alfa Aesar™ Dibenzyl malonate, 95%

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

Alfa Aesar™ tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 2-tert-butoxycarbonyl acetic acid, 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono t-butyl ester, malonic acid mono-tert-butyl ester, malonicacidmono-tert-butylester, mono-t-butyl malonate, mono-tert-butyl malonate, pubchem13754, tert-butyl hydrogen malonate PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

tert.-Butyl methyl malonate, 95%, ACROS Organics™

CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: 1-tert-butyl 3-methyl propanedioate, acmc-20ajkv, ksc493c8h, methyl tert-butyl malonate, pubchem20476, t-butyl methyl malonate, tert-butyl methyl malonaoate, tert-butyl methyl malonate, tert-butyl methylmalote PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC

Ethyl malonyl chloride, 90%, tech., ACROS Organics™

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: 2-ethoxycarbonylacetyl chloride, carbethoxyacetyl chloride, chloroformyl acetic acid ethyl ester, ethyl 2-chlorocarbonyl acetate, ethyl 3-chloro-3-oxopropionate, ethyl chloroformyl acetate, ethyl chloroformylacetate, ethyl malonylchloride, ethyl3-chloro-3-oxopropanoate, propanoic acid, 3-chloro-3-oxo-, ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(=O)Cl

Ethyl 2-ethylacetoacetate, 90%, Acros Organics™

CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: 2-ethyl-3-oxo-butyric acid ethyl ester, 2-ethylacetoacetic acid ethyl ester, butanoic acid, 2-ethyl-3-oxo-, ethyl ester, ethyl .alpha.-acetylbutyrate, ethyl 2-acetylbutyrate, ethyl 2-ethyl-3-ketobutyrate, ethyl 2-ethyl-3-oxo-butanoate, ethyl 2-ethylacetoacetate, ethyl alpha-ethylacetoacetate, ethyl-2-ethylacetoacetate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

Amyl Acetoacetate 98.0+%, TCI America™

CAS: 6624-84-6 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059433 InChI Key: IDZAUPYMMSSVHP-UHFFFAOYSA-N Synonym: Acetoacetic Acid Pentyl Ester, Acetoacetic Acid Amyl Ester, Pentyl Acetoacetate PubChem CID: 138786 IUPAC Name: pentyl 3-oxobutanoate SMILES: CCCCCOC(=O)CC(=O)C

Ethyl Acetoacetate, ≥99%, Alfa Aesar™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: 3-oxo-butyric acid ethyl ester, 3-oxobutanoic acid ethyl ester, acetoacetic acid, ethyl ester, active acetylacetate, butanoic acid, 3-oxo-, ethyl ester, diacetic ether, ethyl 3-oxobutyrate, ethyl acetoacetate, ethyl acetylacetate, ethyl acetylacetonate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Malonic Acid, TCI America™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: carboxyacetic acid, dicarboxylate, dicarboxylic acid, dicarboxymethane, kyselina malonova, kyselina malonova czech, malonic acid, methanedicarboxylic acid, propanediolic acid, usaf ek-695 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Alfa Aesar™ Diethyl tert-butylmalonate, 97%

CAS: 759-24-0 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00009152 InChI Key: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-tert-butylpropanedioate, diethyl 1,1-dimethylethyl malonate, diethyl 2-tert-butyl malonate, diethyl 2-tert-butylmalonate #, diethyl t-butylmalonate, diethyl tert-butylmalonate, diethyltert-butylmalonate, propanedioic acid, 1,1-dimethylethyl-, diethyl ester, tert-butylmalonic acid diethyl ester PubChem CID: 69798 IUPAC Name: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

Diethyl Acetonylmalonate 95.0+%, TCI America™

CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC

Diethyl ethylmalonate, 99%, ACROS Organics™

CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-ethylpropanedioate, diethyl 2-ethylmalonate, diethyl 2-ethylpropane-1,3-dioate, diethyl ethylmalonate, diethyl ethylpropanedioate, ethylmalonic acid diethyl ester, malonic acid, ethyl-, diethyl ester, propanedioic acid, 2-ethyl-, 1,3-diethyl ester, propanedioic acid, ethyl-, diethyl ester, unii-69g92oyr3m PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

Mono-benzyl malonate, 95%, ACROS Organics™

CAS: 40204-26-0 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 InChI Key: CFLAHQSWDKNWPW-UHFFFAOYSA-N Synonym: 2-benzyloxy carbonyl acetic acid, 3-benzyl-oxy-3-oxopropanoic acid, 3-benzyloxy-3-oxopropanoic acid, benzyl hemimalonate, benzyl hydrogen malonate, malonic acid monobenzyl ester, mono-benzyl malonate, monobenzyl malonate, monobenzylmalonate, propanedioic acid, 1-phenylmethyl ester PubChem CID: 181659 ChEBI: CHEBI:84093 IUPAC Name: 3-oxo-3-phenylmethoxypropanoic acid SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)O

Alfa Aesar™ Diethyl n-propylmalonate, 99%

CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-propylpropanedioate, diethyl 2-propylmalonate, diethyl n-propylmalonate, diethyl propyl malonate, diethyl propylmalonate, diethyl-n-propylmalonate, diethylpropylmalonate, malonic acid, propyl-, diethyl ester, propanedioic acid, propyl-, diethyl ester, propylmalonic acid diethyl ester PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC

N,N,N′,N′-Tetramethylmalonamide 97.0+%, TCI America™

CAS: 7313-22-6 Molecular Formula: C7H14N2O2 Molecular Weight (g/mol): 158.201 MDL Number: MFCD03093641 InChI Key: AOXCXILUIVQCHH-UHFFFAOYSA-N PubChem CID: 10975767 IUPAC Name: N,N,N',N'-tetramethylpropanediamide SMILES: CN(C)C(=O)CC(=O)N(C)C

2-(4-Pyrimidyl)malondialdehyde 95%, ACROS Organics™

CAS: 28648-78-4 Molecular Formula: C7H6N2O2 Molecular Weight (g/mol): 150.137 MDL Number: MFCD00216530 InChI Key: BQJUGEYYDDLNKB-UHFFFAOYSA-N Synonym: 2-4-pyrimidyl malondialdehyde, 2-pyrimidin-4-yl malonaldehyde, 2-pyrimidin-4-yl propanedial, 3-hydroxy-2-pyrimidin-4-yl acrylaldehyde, propanedial, 4-pyrimidinyl-9ci, propanedial,2-4-pyrimidinyl, pubchem6893 PubChem CID: 3861108 IUPAC Name: 2-pyrimidin-4-ylpropanedial SMILES: C1=CN=CN=C1C(C=O)C=O

Hexyl Acetoacetate 97.0+%, TCI America™

CAS: 13562-84-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.251 MDL Number: MFCD00059440 InChI Key: QNZLAXONNWOLJY-UHFFFAOYSA-N Synonym: Acetoacetic Acid Hexyl Ester PubChem CID: 83577 IUPAC Name: hexyl 3-oxobutanoate SMILES: CCCCCCOC(=O)CC(=O)C

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

CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.2 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester, 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester, dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate, dimethyl succinylo succinate, dimethyl succinylosuccinate, dimethyl succinylsuccinate, dmss, succinosuccinic acid, dimethyl ester PubChem CID: 94866 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

Alfa Aesar™ tert-Butyl ethyl malonate, 95%

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: 1-tert-butyl 3-ethyl propanedioate, 1-tert-butyl ethyl malonate, acmc-1cjju, malonic acid tert-butyl ethyl ester, propanedioic acid, 1,1-dimethylethyl ethyl ester, t-butyl ethyl malonate, tert-butyl ethyl malonate, tert-butyl ethyl propane-1,3-dioate, tert-butyl ethyl propanedioate, zlchem 692 PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

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