1,3-dicarbonyl compounds

Dimethyl malonate, 99+%, Acros Organics

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: 1,3-dimethyl propanedioate PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

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 PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

Alfa Aesar™ Diethyl isopropylmalonate, 98+%

CAS: 759-36-4 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00040491 InChI Key: BYQFBFWERHXONI-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-isopropylpropanedioate PubChem CID: 12966 IUPAC Name: diethyl 2-propan-2-ylpropanedioate SMILES: CCOC(=O)C(C(C)C)C(=O)OCC

Ethyl 2-Isopropylacetoacetate 94.0+%, TCI America™

CAS: 1522-46-9 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00042884 InChI Key: DMIFFKCVURTPTG-UHFFFAOYSA-N Synonym: ethyl 2-isopropylacetoacetate, 2-isopropylacetoacetic acid ethyl ester, ethyl 2-iso-propylacetoacetate, butanoic acid, 2-acetyl-3-methyl-, ethyl ester, ethyl alpha-isopropylacetoacetate, ethyl 2-acetyl-3-methylbutyrate, acetoacetic acid, 2-isopropyl-, ethyl ester, ethyl .alpha.-isopropylacetoacetate, ethyl isopropylaceto-acetate, acmc-1c35s PubChem CID: 95544 IUPAC Name: ethyl 2-acetyl-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)C(=O)C

Diethyl sec-Butylmalonate 95.0+%, TCI America™

CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-sec-butyl propanedioate PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC

Diethyl phenylmalonate, 98%, Acros Organics™

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 PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Ethyl 2-Methylacetoacetate 95.0+%, TCI America™

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: 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 PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Ethyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™

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

Di-tert-butyl Malonate 98.0+%, TCI America™

CAS: 541-16-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl propanedioate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(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 PubChem CID: 3861108 IUPAC Name: 2-pyrimidin-4-ylpropanedial SMILES: C1=CN=CN=C1C(C=O)C=O

2-(4-Pyridyl)malondialdehyde, 95%, Acros Organics

CAS: 51076-46-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00216535 InChI Key: RYYVVCNGQOENKM-UHFFFAOYSA-N Synonym: 2-4-pyridinyl malonaldehyde PubChem CID: 2737246 IUPAC Name: 2-pyridin-4-ylpropanedial SMILES: C1=CN=CC=C1C(C=O)C=O

Alfa Aesar™ Diethyl benzylmalonate, 97%

CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

Dimethyl Methoxymalonate 95.0+%, TCI America™

CAS: 5018-30-4 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.141 MDL Number: MFCD00009847 InChI Key: ORXJMBXYSGGCHG-UHFFFAOYSA-N Synonym: Methoxymalonic Acid Dimethyl Ester PubChem CID: 78718 IUPAC Name: dimethyl 2-methoxypropanedioate SMILES: COC(C(=O)OC)C(=O)OC

Alfa Aesar™ Ethyl propionylacetate, 95%

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: 3-oxo-pentanoic acid ethyl ester PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Mono-4-nitrobenzyl Malonate 98.0+%, TCI America™

CAS: 77359-11-6 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00191556 InChI Key: RIGFMUNSTCPGNP-UHFFFAOYSA-N Synonym: Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate PubChem CID: 592642 SMILES: C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]

Diethyl Ethylmalonate 98.0+%, TCI America™

CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate, diethyl 2-ethylmalonate, propanedioic acid, ethyl-, diethyl ester, ethylmalonic acid diethyl ester, 1,3-diethyl 2-ethylpropanedioate, unii-69g92oyr3m, propanedioic acid, 2-ethyl-, 1,3-diethyl ester, malonic acid, ethyl-, diethyl ester, diethyl ethylpropanedioate, diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

Diethyl 2-Propynylmalonate 97.0+%, TCI America™

CAS: 17920-23-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00091967 InChI Key: FKXOELIKVUIBLP-UHFFFAOYSA-N Synonym: 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester PubChem CID: 28835 IUPAC Name: diethyl 2-prop-2-ynylpropanedioate SMILES: CCOC(=O)C(CC#C)C(=O)OCC

Alfa Aesar™ Diethyl allylmalonate, 97%

CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC

Ethyl 3-Oxovalerate 97.0+%, TCI America™

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

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: 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 PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

Methyl 2-cyclopentanonecarboxylate, 96%, Acros Organics

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: 2-carbmethoxycyclopentanone PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

Alfa Aesar™ Ethyl 2-benzylacetoacetate, 97%

CAS: 620-79-1 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00009156 InChI Key: XDWQYMXQMNUWID-UHFFFAOYSA-N Synonym: 2-benzylacetoacetate PubChem CID: 246929 IUPAC Name: ethyl 2-benzyl-3-oxobutanoate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C

Diethyl Methyloxalacetate 96.0+%, TCI America™

CAS: 759-65-9 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.206 MDL Number: MFCD00009163 InChI Key: OQOCQBJWOCRPQY-UHFFFAOYSA-N Synonym: Methyloxalacetic Acid Diethyl Ester, 2-Ethoxalylpropionic Acid Ethyl Ester, Ethyl 2-Ethoxalylpropionate PubChem CID: 97750 ChEBI: CHEBI:16879 IUPAC Name: diethyl 2-methyl-3-oxobutanedioate SMILES: CCOC(=O)C(C)C(=O)C(=O)OCC

Ethyl 2-Hexylacetoacetate 95.0+%, TCI America™

CAS: 29214-60-6 Molecular Formula: C12H22O3 Molecular Weight (g/mol): 214.305 MDL Number: MFCD00026889 InChI Key: BRGRZPQESQKATK-UHFFFAOYSA-N Synonym: 2-Acetyl-n-octanoic Acid Ethyl Ester, Ethyl 2-Acetyl-n-octanoate, Hexylacetoacetic Acid Ethyl Ester PubChem CID: 121790 IUPAC Name: ethyl 2-acetyloctanoate SMILES: CCCCCCC(C(=O)C)C(=O)OCC

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 PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC

N,N,N′,N′-Tetrapentylmalonamide 98.0+%, TCI America™

CAS: 1560797-76-3 Molecular Formula: C23H46N2O2 Molecular Weight (g/mol): 382.633 MDL Number: MFCD06797172 InChI Key: SLCSFXNOZDNIFH-UHFFFAOYSA-N Synonym: N,N,N′C,N′C-Tetraamylmalonamide PubChem CID: 44630524 IUPAC Name: N,N,N',N'-tetrapentylpropanediamide SMILES: CCCCCN(CCCCC)C(=O)CC(=O)N(CCCCC)CCCCC

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™ Ethyl hydrogen malonate, 90+%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: 2-ethoxycarbonyl acetic acid PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

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: 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 PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

Alfa Aesar™ Diethyl (3-chloropropyl)malonate, 98%

CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: 2-3-chloropropyl malonic acid diethyl ester PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC

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