(4-Chlorophenyl)(1H-pyrrol-3-yl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(1H-pyrrol-3-yl)methanone
• CAS No.: 62128-38-5
• Molecular Formula: C11H8ClNO
• Molecular Weight: 205.644
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50505651
• Nikkaji Number: J515.895H
• Wikidata: Q82360908
• Mol file: 62128-38-5.mol

Synonyms:62128-38-5;(4-Chlorophenyl)(1H-pyrrol-3-yl)methanone;3-(4-Chlorobenzoyl)-1H-pyrrole;(4-chlorophenyl)-(1h-pyrrol-3-yl)methanone;MFCD03785100;(4-Chloro-phenyl)-(1H-pyrrol-3-yl)-methanone;3-p-chlorobenzoylpyrrole;SCHEMBL3590906;DTXSID50505651;AHSLXEUIQZMKFA-UHFFFAOYSA-N;AKOS005256783;SB62633;DS-12895;(4-Chlorophenyl)-(1H-pyrrol-3-yl)-methanone;C75916;A913700

Chemical Property of (4-Chlorophenyl)(1H-pyrrol-3-yl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 375.846°C at 760 mmHg
• Flash Point: 181.106°C
• PSA: 32.86000
• Density: 1.303g/cm³
• LogP: 2.89910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.0294416
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

NLT 98% ^*data from raw suppliers

(4-chlorophenyl)-(1H-pyrrol-3-yl)methanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CNC=C2)Cl

Technology Process of (4-Chlorophenyl)(1H-pyrrol-3-yl)methanone

There total 7 articles about (4-Chlorophenyl)(1H-pyrrol-3-yl)methanone 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: 100.0%

(1-benzenesulfonyl-1H-pyrrol-3-yl)-(4-chlorophenyl)methanone (97188-31-3) → (4-chlorophenyl)-(1H-pyrrol-3-yl)methanone (62128-38-5)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 15h; Ambient temperature;

Reference yield: 44.0%

2-(4-chlorobenzoyl)pyrrole (13169-71-6) → (4-chlorophenyl)-(1H-pyrrol-3-yl)methanone (62128-38-5)

Guidance literature:

With trifluorormethanesulfonic acid; at 72 ℃; for 24h; equilibrium;

DOI:10.1021/jo00318a002

Reference yield: 14.0%

(1-benzenesulfonyl-1H-pyrrol-3-yl)-(4-chlorophenyl)methanone (97188-31-3) + sodium methylate (124-41-4) → (4-chlorophenyl)-(1H-pyrrol-3-yl)methanone (62128-38-5) + N-methyl-3-(4-chlorobenzoyl)-1H-pyrrole (62128-44-3)

Guidance literature:

In 1,4-dioxane; for 24h; Ambient temperature;

upstream raw materials:

2-(4-chlorobenzoyl)pyrrole

(1-benzenesulfonyl-1H-pyrrol-3-yl)-(4-chlorophenyl)methanone

sodium methylate

4-chloro-benzoyl chloride

Downstream raw materials:

(4-Chloro-phenyl)-{5-[2-(4-chloro-phenyl)-benzo[1,3]dithiol-2-yl]-1H-pyrrol-3-yl}-methanone

2-(4-chlorobenzoyl)pyrrole

[4-(4-Chloro-benzoyl)-1H-pyrrol-2-yl]-(4-chloro-phenyl)-methanone

C₁₈H₁₅BrClN

Refernces

• 1、 Nicolaou, Ioannis,Demopoulos, Vassilis J.. "A study of the Friedel-Crafts acylation of 1-benzenesulfonyl-1H-pyrrole in the preparation of 3-aroylpyrroles". . p. 1345 - 1348. Retrieved 2007/10/03.
• 2、 Cadamuro, Silvano,Degani, Iacopo,Dughera, Stefano,Fochi, Rita,Gatti, Antonella,Piscopo, Laura. "General Methods for Synthesizing 2,4-Diacylpyrroles and their Precursors Containing One or Two Masked Acyl Groups". . p. 273 - 284. Retrieved 2007/10/02.