[1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)methanone

Base Information

• Chemical Name: [1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)methanone
• CAS No.: 87549-01-7
• Molecular Formula: C13H12ClNO
• Molecular Weight: 233.697
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00521260
• Wikidata: Q82385637
• Mol file: 87549-01-7.mol

Synonyms:87549-01-7;[1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)methanone;SCHEMBL9688818;DTXSID00521260

Chemical Property of [1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)methanone

Chemical Property:

• PSA: 22.00000
• LogP: 2.95790
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 233.0607417
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

[1-(2-CHLORO-ETHYL)-1H-PYRROL-2-YL]PHENYL-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CN2CCCl

Technology Process of [1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)methanone

There total 1 articles about [1-(2-Chloroethyl)-1H-pyrrol-2-yl](phenyl)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:

phenyl(1H-pyrrol-2-yl)methanone (7697-46-3) → 1-(2-chloroethyl)-2-benzoylpyrrole (87549-01-7)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In 1,2-dichloro-ethane;

Reference yield: 88.0%

thiophenol (108-98-5) + 1-(2-chloroethyl)-2-benzoylpyrrole (87549-01-7) → 1-(2-phenylsulfenylethyl)-2-benzoylpyrrole (87549-09-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 2h;

Reference yield: 80.0%

1-(2-chloroethyl)-2-benzoylpyrrole (87549-01-7) → 1-(2-iodoethyl)-2-benzoylpyrrole (141031-77-8)

Guidance literature:

With sodium iodide; In acetonitrile; for 24h; Heating;

DOI:10.1139/v92-228

upstream raw materials:

phenyl(1H-pyrrol-2-yl)methanone

Downstream raw materials:

1-(2-phenylsulfenylethyl)-2-benzoylpyrrole

Phenyl-(1-vinyl-1H-pyrrol-2-yl)-methanone

1-(2-iodoethyl)-2-benzoylpyrrole

2-Benzoyl-4-(2-benzoyl-pyrrol-1-yl)-butyric acid ethyl ester