1H-Pyrrole-2-carboxylic acid, 4-butyl-3,5-dimethyl-, phenylmethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-butyl-3,5-dimethyl-, phenylmethyl ester
• CAS No.: 93341-72-1
• Molecular Formula: C18H23NO2
• Molecular Weight: 285.386
• Mol file: 93341-72-1.mol

Synonyms:benzyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate;benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole;1H-Pyrrole-2-carboxylic acid,4-butyl-3,5-dimethyl-,phenylmethyl ester;

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 4-butyl-3,5-dimethyl-, phenylmethyl ester

Chemical Property:

• Melting Point: 81 °C(Solv: ethanol (64-17-5))
• Boiling Point: 433.6±33.0 °C(Predicted)
• PSA: 42.09000
• Density: 1.077±0.06 g/cm3(Predicted)
• LogP: 4.33110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-2-carboxylic acid, 4-butyl-3,5-dimethyl-, phenylmethyl ester

There total 4 articles about 1H-Pyrrole-2-carboxylic acid, 4-butyl-3,5-dimethyl-, phenylmethyl ester 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: 85.0%

benzyl acetoacetate (5396-89-4) + 3-butylpentane-2,4-dione (1540-36-9) → benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole (93341-72-1)

Guidance literature:

benzyl acetoacetate; With sodium nitrite; In water; acetic acid; at 20 ℃;

3-butylpentane-2,4-dione; With sodium acetate; zinc; In water; acetic acid; at 80 - 90 ℃; Further stages.;

DOI:10.1002/chem.200601644

Reference yield: 82.0%

ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate (34549-87-6) + sodium phenyl-methanolate (20194-18-7) → benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole (93341-72-1)

Guidance literature:

In benzyl alcohol; at 20 - 230 ℃; for 1.58333h;

DOI:10.1021/jo2006895

Reference yield: 67.0%

ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate (34549-87-6) + benzyl alcohol (100-51-6,185532-71-2) → benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole (93341-72-1)

Guidance literature:

With sodium; at 80 ℃; for 4h; under 15 Torr;

upstream raw materials:

ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate

benzyl alcohol

benzyl acetoacetate

3-butylpentane-2,4-dione

Downstream raw materials:

benzyl 5-acetoxymethyl-4-n-butyl-3-methylpyrrole-2-carboxylate

benzyl 4-butyl-3-methylpyrrole-2-carboxylate

benzyl 8(5-benzyloxycarbonyl-3-butyl-4-methyl-2-pyrrolyl)-3-methylindeno[2,1-b]pyrrole-2-carboxylate

5-benzyloxycarbonyl-3-butyl-4-methylpyrrole-2-carboxylic acid