3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid

Base Information

Chemical Name:3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid
CAS No.:6277-13-0
Molecular Formula:C9H11NO4
Molecular Weight:197.191
Hs Code.:
NSC Number:35995
DSSTox Substance ID:DTXSID30284159
Wikidata:Q82018993

Synonyms:6277-13-0;3-(ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid;3-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid;NSC35995;SCHEMBL9409257;DTXSID30284159;NSC-35995;BS-51555;F74278

Suppliers and Price of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid

Chemical Property:

Vapor Pressure:3.84E-08mmHg at 25°C
Boiling Point:429.5°Cat760mmHg
Flash Point:213.6°C
Density:1.306g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:197.06880783
Heavy Atom Count:14
Complexity:241

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC=C1C)C(=O)O

Technology Process of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid

There total 9 articles about 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

: 81972-05-6
tert-butyl 3-(ethoxycarbonyl)-4-methyl-2-pyrrolecarboxylate

: 6277-13-0
3-ethoxycarbonyl-4-methylpyrrole-2-carboxylic acid

Guidance literature:: With trifluoroacetic acid; at 5 ℃; for 0.25h;
DOI:10.1021/jo00137a006

Reference yield:

: 68999-91-7
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester 4-ethyl ester

: 6277-13-0
3-ethoxycarbonyl-4-methylpyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

2: 63 percent / dicyclohexylcarbodiimide / tetrahydrofuran / 18 h / 20 °C

3: 60 percent / H₂ / 10percent Pd/C / ethanol / 3 h / 2585.7 Torr

4: 97 percent / I₂, NaHCO₃ / ethanol; H₂O / 1.5 h / 20 °C

5: 93 percent / H₂, sodium acetate / 10percent Pd/C / ethanol / 3 h / 2327.2 Torr

6: 80 percent / trifluoroacetic acid / 0.25 h / 5 °C

With hydrogen; iodine; sodium acetate; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol; water;
DOI:10.1021/jo00137a006

Reference yield:

: 141-97-9
ethyl acetoacetate

: 6277-13-0
3-ethoxycarbonyl-4-methylpyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) NaNO₂, acetic acid, 2.) Zn, acetic acid, sodium acetate / 1.) H₂O, 5 deg C, 15 h, 2.) 75 deg C, 1.5 h

3: 63 percent / dicyclohexylcarbodiimide / tetrahydrofuran / 18 h / 20 °C

4: 60 percent / H₂ / 10percent Pd/C / ethanol / 3 h / 2585.7 Torr

5: 97 percent / I₂, NaHCO₃ / ethanol; H₂O / 1.5 h / 20 °C

6: 93 percent / H₂, sodium acetate / 10percent Pd/C / ethanol / 3 h / 2327.2 Torr

7: 80 percent / trifluoroacetic acid / 0.25 h / 5 °C

With hydrogen; iodine; sodium acetate; sodium hydrogencarbonate; acetic acid; dicyclohexyl-carbodiimide; trifluoroacetic acid; zinc; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; ethanol; water;
DOI:10.1021/jo00137a006