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Vinylogous acids

Organic compounds that contain one or more hydroxyl groups indirectly attached to a carbonyl group via an intervening vinyl functional group (-C=C-; also known as carbon - carbon double bond).

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1

Ethyl 4-pyrazolecarboxylate, 98%, Thermo Scientific™

CAS: 37622-90-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00010844 InChI Key: KACZQOKEFKFNDB-UHFFFAOYSA-N Synonym: ethyl 4-pyrazolecarboxylate,ethyl pyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid ethyl ester,4-ethoxycarbonylpyrazole,1h-pyrazole-4-carboxylic acid, ethyl ester,4-pyrazolecarboxylic acid ethyl ester,ethyl4-pyrazolecarboxylate,zlchem 132,pubchem21939,acmc-209iug PubChem CID: 142179 IUPAC Name: ethyl 1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=CNN=C1

PubChem CID 142179
CAS 37622-90-5
Molecular Weight (g/mol) 140.14
MDL Number MFCD00010844
SMILES CCOC(=O)C1=CNN=C1
Synonym ethyl 4-pyrazolecarboxylate,ethyl pyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid ethyl ester,4-ethoxycarbonylpyrazole,1h-pyrazole-4-carboxylic acid, ethyl ester,4-pyrazolecarboxylic acid ethyl ester,ethyl4-pyrazolecarboxylate,zlchem 132,pubchem21939,acmc-209iug
IUPAC Name ethyl 1H-pyrazole-4-carboxylate
InChI Key KACZQOKEFKFNDB-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
2

2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 94%

CAS: 5394-63-8 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00040468 InChI Key: XFRBXZCBOYNMJP-UHFFFAOYSA-N Synonym: 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb PubChem CID: 79368 IUPAC Name: 2,2,6-trimethyl-1,3-dioxin-4-one SMILES: CC1=CC(=O)OC(O1)(C)C

PubChem CID 79368
CAS 5394-63-8
Molecular Weight (g/mol) 142.15
MDL Number MFCD00040468
SMILES CC1=CC(=O)OC(O1)(C)C
Synonym 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb
IUPAC Name 2,2,6-trimethyl-1,3-dioxin-4-one
InChI Key XFRBXZCBOYNMJP-UHFFFAOYSA-N
Molecular Formula C7H10O3
3

4-Acryloylmorpholine, 97%

CAS: 5117-12-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 InChI Key: XLPJNCYCZORXHG-UHFFFAOYSA-N SMILES: C=CC(=O)N1CCOCC1

CAS 5117-12-4
Molecular Weight (g/mol) 141.17
SMILES C=CC(=O)N1CCOCC1
InChI Key XLPJNCYCZORXHG-UHFFFAOYSA-N
Molecular Formula C7H11NO2
4

Ethyl (ethoxymethylene)cyanoacetate, 98%

CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 SMILES: CCO\C=C(\C#N)C(=O)OCC

PubChem CID 1715183
CAS 94-05-3
Molecular Weight (g/mol) 169.18
MDL Number MFCD00009136
SMILES CCO\C=C(\C#N)C(=O)OCC
Synonym ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate
InChI Key KTMGNAIGXYODKQ-SREVYHEPSA-N
Molecular Formula C8H11NO3
5

Diethyl Ethoxymethylenemalonate, 99+%

CAS: 87-13-8 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.23 MDL Number: MFCD00009148 InChI Key: LTMHNWPUDSTBKD-UHFFFAOYSA-N Synonym: diethyl ethoxymethylenemalonate,diethyl 2-ethoxymethylene malonate,ethoxymethylenemalonic acid diethyl ester,diethyl ethoxymethylene malonate,diethyl emme,propanedioic acid, ethoxymethylene-, diethyl ester,diethylethoxymethylenemalonate,1,3-diethyl 2-ethoxymethylidene propanedioate,diethyl ethoxymethylidene propanedioate PubChem CID: 6871 IUPAC Name: diethyl 2-(ethoxymethylidene)propanedioate SMILES: CCOC=C(C(=O)OCC)C(=O)OCC

PubChem CID 6871
CAS 87-13-8
Molecular Weight (g/mol) 216.23
MDL Number MFCD00009148
SMILES CCOC=C(C(=O)OCC)C(=O)OCC
Synonym diethyl ethoxymethylenemalonate,diethyl 2-ethoxymethylene malonate,ethoxymethylenemalonic acid diethyl ester,diethyl ethoxymethylene malonate,diethyl emme,propanedioic acid, ethoxymethylene-, diethyl ester,diethylethoxymethylenemalonate,1,3-diethyl 2-ethoxymethylidene propanedioate,diethyl ethoxymethylidene propanedioate
IUPAC Name diethyl 2-(ethoxymethylidene)propanedioate
InChI Key LTMHNWPUDSTBKD-UHFFFAOYSA-N
Molecular Formula C10H16O5
6

3,4-Dihydro-2H-pyran-5-carboxaldehyde, 97%, Thermo Scientific™

CAS: 25090-33-9 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 InChI Key: WWZVSCJTMPYTLY-UHFFFAOYSA-N PubChem CID: 2736151 IUPAC Name: 3,4-dihydro-2H-pyran-5-carbaldehyde SMILES: C1CC(=COC1)C=O

PubChem CID 2736151
CAS 25090-33-9
Molecular Weight (g/mol) 112.13
SMILES C1CC(=COC1)C=O
IUPAC Name 3,4-dihydro-2H-pyran-5-carbaldehyde
InChI Key WWZVSCJTMPYTLY-UHFFFAOYSA-N
Molecular Formula C6H8O2
7

Ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate, 97%, Thermo Scientific™

CAS: 4815-24-1 Molecular Formula: C9H13NO2S Molecular Weight (g/mol): 199.27 InChI Key: JYSDXODDWAQWJR-UHFFFAOYSA-N Synonym: ethyl 2-amino-4,5-dimethyl3-thenoate,ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate,2-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl ester,2-amino-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester,2-amino-3-carbethoxy-4,5-dimethylthiophene,2-amino-4,5-dimethyl-3-ethoxycarbonyl-thiophene,ethyl-2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate PubChem CID: 78536 IUPAC Name: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC(=C1C)C)N

PubChem CID 78536
CAS 4815-24-1
Molecular Weight (g/mol) 199.27
SMILES CCOC(=O)C1=C(SC(=C1C)C)N
Synonym ethyl 2-amino-4,5-dimethyl3-thenoate,ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate,2-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl ester,2-amino-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester,2-amino-3-carbethoxy-4,5-dimethylthiophene,2-amino-4,5-dimethyl-3-ethoxycarbonyl-thiophene,ethyl-2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl2-amino-4,5-dimethylthiophene-3-carboxylate,ethyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate
IUPAC Name ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
InChI Key JYSDXODDWAQWJR-UHFFFAOYSA-N
Molecular Formula C9H13NO2S
8

Dimethyl methoxymethylenemalonate, 98+%

CAS: 22398-14-7 Molecular Formula: C7H10O5 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00038225 InChI Key: RHFZTBSULNJWEI-UHFFFAOYSA-N Synonym: dimethyl methoxymethylenemalonate,dimethyl 2-methoxymethylene malonate,1,3-dimethyl 2-methoxymethylidene propanedioate,methoxymethylenemalonic acid dimethyl ester,dimethyl methoxymethylene malonate,acmc-1cq9e,dimethylmethoxymethylenemalonate,propanedioic acid, methoxymethylene-, dimethyl ester,dimethyl methoxymethylidenemalonate PubChem CID: 90770 IUPAC Name: dimethyl 2-(methoxymethylidene)propanedioate SMILES: COC=C(C(=O)OC)C(=O)OC

PubChem CID 90770
CAS 22398-14-7
Molecular Weight (g/mol) 174.16
MDL Number MFCD00038225
SMILES COC=C(C(=O)OC)C(=O)OC
Synonym dimethyl methoxymethylenemalonate,dimethyl 2-methoxymethylene malonate,1,3-dimethyl 2-methoxymethylidene propanedioate,methoxymethylenemalonic acid dimethyl ester,dimethyl methoxymethylene malonate,acmc-1cq9e,dimethylmethoxymethylenemalonate,propanedioic acid, methoxymethylene-, dimethyl ester,dimethyl methoxymethylidenemalonate
IUPAC Name dimethyl 2-(methoxymethylidene)propanedioate
InChI Key RHFZTBSULNJWEI-UHFFFAOYSA-N
Molecular Formula C7H10O5
9

Ethyl 5-amino-1-methylpyrazole-4-carboxylate, 98%, Thermo Scientific™

CAS: 31037-02-2 Molecular Formula: C7H11N3O2 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00051652 InChI Key: MEUSJJFWVKBUFP-UHFFFAOYSA-N Synonym: ethyl 5-amino-1-methyl-1h-pyrazole-4-carboxylate,5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl5-amino-1-methylpyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester,5-amino-1-methylpyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-1-methyl-4-pyrazolecarboxylate,ethyl 5-amino-1-methyl-pyrazole-4-carboxylate,acmc-1agpk,maybridge1_003833,ethyl-5-amino-1-methyl-1h-pyrazol-4-carboxylat PubChem CID: 271299 SMILES: CCOC(=O)C1=C(N)N(C)N=C1

PubChem CID 271299
CAS 31037-02-2
Molecular Weight (g/mol) 169.18
MDL Number MFCD00051652
SMILES CCOC(=O)C1=C(N)N(C)N=C1
Synonym ethyl 5-amino-1-methyl-1h-pyrazole-4-carboxylate,5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester,ethyl5-amino-1-methylpyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester,5-amino-1-methylpyrazole-4-carboxylic acid ethyl ester,ethyl 5-amino-1-methyl-4-pyrazolecarboxylate,ethyl 5-amino-1-methyl-pyrazole-4-carboxylate,acmc-1agpk,maybridge1_003833,ethyl-5-amino-1-methyl-1h-pyrazol-4-carboxylat
InChI Key MEUSJJFWVKBUFP-UHFFFAOYSA-N
Molecular Formula C7H11N3O2