1,3-dicarbonyl compounds

Diethyl Malonate, TCI America™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 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

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

Methylmalonic acid, 96%, ACROS Organics™

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: 1,1-ethanedicarboxylic acid, 2-methylmalonic acid, isosuccinic acid, malonic acid, methyl, methyl malonic acid, methylmalonate, methylmalonic acid, methylpropanedioic acid, propanedioic acid, methyl, unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(=O)O)C(=O)O

Alfa Aesar™ Ethyl 2-cyanoacetoacetate

CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYSA-N Synonym: 2-cyano-3-oxo-butyric acid ethyl ester, 2-cyanoacetoacetic acid ethyl ester, butanoic acid, 2-cyano-3-oxo-, ethyl ester, ethyl 2-acetylcyanoacetate, ethyl 2-cyano-3-oxo-butanoate, ethyl 2-cyanoacetoacetate, ethyl a-cyanoacetoacetate, ethyl alpha-cyanoacetoacetate, ethyl2-acetylcyanoacetate, zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)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

Alfa Aesar™ Malonic acid disodium salt, 99%

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+]

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

Malonic acid, 99%, ACROS Organics™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 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

Ethyl acetoacetate, 99+%, extra 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

Ethyl 2-methylacetoacetate, 95%, ACROS Organics™

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

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

Diethyl Phenylmalonate 97.0+%, TCI America™

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 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

Bis(4-nitrobenzyl) Malonate 98.0+%, TCI America™

CAS: 67245-85-6 Molecular Formula: C17H14N2O8 Molecular Weight (g/mol): 374.305 MDL Number: MFCD00191671 InChI Key: RBVOYZBIDZCDBO-UHFFFAOYSA-N Synonym: Malonic Acid Bis(4-nitrobenzyl) Ester PubChem CID: 313754 IUPAC Name: bis[(4-nitrophenyl)methyl] propanedioate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Diethyl 1,3-Acetonedicarboxylate 95.0+%, TCI America™

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.206 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: 1,5-diethyl 3-oxopentanedioate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester, diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, diethyl acetone dicarboxylate, diethyl acetone-1,3-dicarboxylate, ethyl 3-oxoglutarate, ethyl acetonedicarboxylate, pentanedioic acid, 3-oxo-, diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Dimethyl Benzylmalonate 95.0+%, TCI America™

CAS: 49769-78-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD01445471 InChI Key: ZMYJSOIMFGAQRQ-UHFFFAOYSA-N Synonym: Benzylmalonic Acid Dimethyl Ester PubChem CID: 10900856 IUPAC Name: dimethyl 2-benzylpropanedioate SMILES: COC(=O)C(CC1=CC=CC=C1)C(=O)OC

Alfa Aesar™ Diethyl (2,4-dichlorophenyl)malonate, 95%

CAS: 111544-93-5 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.151 MDL Number: MFCD00831103 InChI Key: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-2,4-dichlorophenyl propanedioate, 2-2,4-dichloro-phenyl-malonic acid diethyl ester, diethyl 2,4-dichlorophenyl malonate, diethyl 2,4-dichlorophenyl propanedioate, diethyl 2,4-dichlorophenylmalonate, diethyl 2-2,4-dichlorophenyl malonate, diethyl 2-2,4-dichlorophenyl propanedioate, propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester PubChem CID: 2736112 IUPAC Name: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C1=C(C=C(C=C1)Cl)Cl)C(=O)OCC

Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate 96.0+%, TCI America™

CAS: 21339-47-9 Molecular Formula: C13H24O6 Molecular Weight (g/mol): 276.329 MDL Number: MFCD00671525 InChI Key: VQUXMFKGQFXVBC-UHFFFAOYSA-N Synonym: 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester PubChem CID: 298328 IUPAC Name: diethyl 2-(2,2-diethoxyethyl)propanedioate SMILES: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC

tert-Butyl Acetoacetate 95.0+%, TCI America™

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: 1d3dos61gx, acetoacetic acid tert-butyl ester, acetoacetic acid, tert-butyl ester, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, t-butyl acetoacetate, t-butylacetoacetate, tbaa, tert-butyl 3-oxobutyrate, tert-butyl acetoacetate, unii-1d3dos61gx PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

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+]

Alfa Aesar™ Ethyl 2-oxocyclopentanecarboxylate, 97+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: .alpha.-carboethoxy cyclopentanone, 2-carbethoxycyclopentanone, 2-ethoxycarbonyl cyclopentanone, cyclopentanecarboxylic acid, 2-oxo-, ethyl ester, cyclopentanone-2-carboxylic acid ethyl ester, ethyl 2-cyclopentanone-1-carboxylate, ethyl 2-cyclopentanonecarboxylate, ethyl 2-oxocyclopentanecarboxylate, ethyl cyclopentanone-2-carboxylate, ethyl2-oxocyclopentanecarboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=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

Alfa Aesar™ Ethyl malonyl chloride, 95%

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00000736 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

Diethyl Oxalacetate 95.0+%, TCI America™

CAS: 108-56-5 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.179 MDL Number: MFCD00059229 InChI Key: JDXYSCUOABNLIR-UHFFFAOYSA-N Synonym: Ethyl Oxalacetate, Oxalacetic Acid Diethyl Ester PubChem CID: 66951 ChEBI: CHEBI:86608 IUPAC Name: diethyl 2-oxobutanedioate SMILES: CCOC(=O)CC(=O)C(=O)OCC

Diethyl malonate, 99%, Alfa Aesar™

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 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

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

Alfa Aesar™ Dimethyl (4-methoxybenzyl)malonate, 95%

CAS: 15378-09-3 Molecular Formula: C13H16O5 Molecular Weight (g/mol): 252.266 MDL Number: MFCD08436113 InChI Key: GXDFOJRQIDXKIH-UHFFFAOYSA-N Synonym: 1,3-dimethyl 2-4-methoxyphenyl methyl propanedioate, 4-methoxybenzyl malonic acid dimethyl ester, acmc-1bt9b, dimethyl 2 4-methoxybenzyl malonate, dimethyl 2-4-methoxybenzyl malonate, dimethyl 4-methoxybenzyl malonate, dimethyl 4-methoxyphenyl methyl propanedioate, propanedioic acid,2-4-methoxyphenyl methyl-, 1,3-dimethyl ester PubChem CID: 12567675 IUPAC Name: dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate SMILES: COC1=CC=C(C=C1)CC(C(=O)OC)C(=O)OC

Methyl malonyl chloride, 97%, ACROS Organics™

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonym: carbomethoxy acetyl chloride, methyl 3-chloro-3-oxopropionate, methyl chlorocarbonylacetate, methyl chloroformyl acetate, methyl chloroformylacetate, methyl malonyl chloride, methyl-3-chlor-3-oxopropanoat, methyl-3-chloro-3-oxopropionate, methyl3-chloro-3-oxopropionate, propanoic acid, 3-chloro-3-oxo-, methyl ester PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

Diethyl methylmalonate, 99%, ACROS Organics™

CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-methylpropanedioate, 2-methylmalonic acid diethyl, diethyl 2-methylmalonate, diethyl methylmalonate, diethyl methylpropanedioate, diethylmethylmalonate, ethyl methylmalonate, malonic acid, methyl-, diethyl ester, methylmalonic acid diethyl ester, propanedioic acid, methyl-, diethyl ester PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

Propyl Acetoacetate 98.0+%, TCI America™

CAS: 1779-60-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00059405 InChI Key: DHGFMVMDBNLMKT-UHFFFAOYSA-N Synonym: Acetoacetic Acid Propyl Ester PubChem CID: 74507 IUPAC Name: propyl 3-oxobutanoate SMILES: CCCOC(=O)CC(=O)C

Methyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: 2-carbmethoxycyclopentanone, 2-methoxy carbonyl cyclopentanone, 2-methoxycarbonylcyclopentanone, 2-oxocyclopentanecarboxylic acid methyl ester, cyclopentanecarboxylic acid, 2-oxo-, methyl ester, cyclopentanone-2-carboxylic acid methyl ester, mehyl-2-oxocyclopentane, methyl 2-cyclopentanonecarboxylate, methyl 2-oxocyclopentanecarboxylate, methyl cyclopentanone-2-carboxylate PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

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