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

Base Information

• Chemical Name: 1H-Pyrrole-3-carboxylicacid,4-(2-chlorophenyl)-2,5-dimethyl-,methylester(9CI)
• CAS No.: 95838-58-7
• Molecular Formula: C14H14 Cl N O2
• Molecular Weight: 0
• Hs Code.: 2933990090
• Mol file: 95838-58-7.mol

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

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

Chemical Property:

• PSA: 42.09000
• LogP: 3.73850

Purity/Quality:

1H-PYRROLE-3-CARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-2,5-DIMETHYL-, 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,4-(2-chlorophenyl)-2,5-dimethyl-,methylester(9CI)

There total 4 articles about 1H-Pyrrole-3-carboxylicacid,4-(2-chlorophenyl)-2,5-dimethyl-,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: 65.0%

5-<(Acetyl)(methoxycarbonyl)methylenamino>-4-(2-chlorphenyl)-4,5-dihydro-2,5-dimethyl-3-furancarbonsaeure-methylester (95838-90-7) → methyl 2,3-dioxobutanoate (86396-16-9) + 4-(2-Chlorphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-methylester (95838-58-7)

Guidance literature:

With hydrogenchloride; In methanol; water; Heating;

Reference yield: 60.0%

1ξ-(2-chloro-phenyl)-2-nitro-propene (149312-00-5,18982-43-9) + methyl 3-aminocrotonate (21731-17-9) → 4-(2-Chlorphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-methylester (95838-58-7)

Guidance literature:

With iron(III) chloride; In ethylene glycol; at 100 ℃; for 10h;

DOI:10.1055/s-0031-1289993

Reference yield:

1ξ-(2-chloro-phenyl)-2-nitro-propene (149312-00-5,18982-43-9) → 4-(2-Chlorphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-methylester (95838-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent

2: 65 percent / conc. HCl / methanol; H₂O / Heating

With hydrogenchloride; In methanol; water;

upstream raw materials:

5-<(Acetyl)(methoxycarbonyl)methylenamino>-4-(2-chlorphenyl)-4,5-dihydro-2,5-dimethyl-3-furancarbonsaeure-methylester

1ξ-(2-chloro-phenyl)-2-nitro-propene

acetoacetic acid methyl ester

methyl 3-aminocrotonate