1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI)
• CAS No.: 95838-55-4
• Molecular Formula: C14H15 N O2
• Molecular Weight: 229.279
• Hs Code.: 2933990090
• Mol file: 95838-55-4.mol

Synonyms:1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI)

Chemical Property of 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI)

Chemical Property:

• PSA: 42.09000
• LogP: 3.08510

Purity/Quality:

1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIMETHYL-4-PHENYL-, METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI)

There total 11 articles about 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-4-phenyl-,methylester(9CI) 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: 96.0%

5-[1-Methoxycarbonyl-2-oxo-prop-(Z)-ylideneamino]-2,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid methyl ester (91473-85-7) → methyl 2,3-dioxobutanoate (86396-16-9) + 4-phenyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester (95838-55-4)

Guidance literature:

With hydrogenchloride; In methanol; water; Heating;

Reference yield: 80.0%

(2-nitroprop-1-enyl)benzene (705-60-2) + methyl 3-aminocrotonate (21731-17-9) → 4-phenyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester (95838-55-4)

Guidance literature:

With iron(III) chloride; In ethylene glycol; at 100 ℃; for 4h;

DOI:10.1055/s-0031-1289993

Reference yield: 68.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + acetoacetic acid methyl ester (105-45-3) → 4-phenyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester (95838-55-4)

Guidance literature:

With tert-butyl carbazate; [Ru(η3-2-C3H4Me)(CO)(1,1'-bis(diphenylphosphino)ferrocene)][SbF6]; trifluoroacetic acid; In tetrahydrofuran; at 20 - 75 ℃; Inert atmosphere;

DOI:10.1002/jhet.301

upstream raw materials:

1,3-Dicarbomethoxy-S-methylisothiourea

3-Carbomethoxy-5-nitro-2-oximino-4-phenylpentane

5-[1-Methoxycarbonyl-2-oxo-prop-(Z)-ylideneamino]-2,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid methyl ester

(2-nitroethenyl)benzene