4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester
• CAS No.: 188524-67-6
• Molecular Formula: C₁₂H₁₀ClNO₂
• Molecular Weight: 235.67
• DSSTox Substance ID: DTXSID801229453
• Nikkaji Number: J849.144E

Synonyms:Methyl 4-(4-chlorophenyl)-1H-pyrrole-3-carboxylate;4-(4-CHLOROPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER;188524-67-6;DTXSID801229453;MFCD11846892;AKOS000369171;4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid methyl ester

Chemical Property of 4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 235.0400063
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CNC=C1C2=CC=C(C=C2)Cl

Technology Process of 4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester

There total 2 articles about 4-(4-Chlorophenyl)-1H-pyrrole-3-carboxylic acid methyl 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: 60.0%

methyl 3-(4-chlorophenyl)propenoate (20754-21-6) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → 4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid methyl ester (188524-67-6)

Guidance literature:

With sodium hydride; In diethyl ether; dimethyl sulfoxide; for 1h; Heating;

DOI:10.1021/jo961981u

Reference yield:

methyl 4-chlorocinnamate (7560-44-3,20754-21-6,20754-24-9) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → 4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid methyl ester (188524-67-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 1.25h;

DOI:10.1021/ol5023933

Reference yield:

4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid methyl ester (188524-67-6) → 4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid (122453-98-9)

Guidance literature:

With potassium hydroxide; In methanol; water; for 3h; Heating;

DOI:10.1021/jo961981u

upstream raw materials:

methyl 3-(4-chlorophenyl)propenoate

[(p-methylphenyl)sulfonylmethyl]isonitrile

methyl 4-chlorocinnamate

Downstream raw materials:

4-(4-Chloro-phenyl)-1H-pyrrole-3-carboxylic acid

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