3-(Chloroacetyl)-1-tosylpyrrole

Base Information

• Chemical Name: 3-(Chloroacetyl)-1-tosylpyrrole
• CAS No.: 124511-96-2
• Molecular Formula: C13H12 Cl N O3 S
• Molecular Weight: 297.762
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60569709
• Wikidata: Q82456914
• Mol file: 124511-96-2.mol

Synonyms:3-(Chloroacetyl)-1-tosylpyrrole;124511-96-2;2-Chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone;2-chloro-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone;2-chloro-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]ethanone;B-N-PROPYLGLUTARICACID;3-Chloroacetyl-1Tosyl Pyrrole;SCHEMBL9775280;AMY4700;DTXSID60569709;YOGUEUYPEHSNNN-UHFFFAOYSA-N;MFCD07357279;AKOS015904407;SB62404;BS-19616;A805251;2-Chloro-1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-3-yl]ethan-1-one;Ethanone, 2-chloro-1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-;2-chloro-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]ethanone

Chemical Property of 3-(Chloroacetyl)-1-tosylpyrrole

Chemical Property:

• PSA: 64.52000
• LogP: 3.53580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 297.0226421
• Heavy Atom Count: 19
• Complexity: 424

Purity/Quality:

98% ^*data from raw suppliers

3-(Chloroacetyl)-1-tosylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCl

Technology Process of 3-(Chloroacetyl)-1-tosylpyrrole

There total 2 articles about 3-(Chloroacetyl)-1-tosylpyrrole 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%

N-p-toluenesulfonylpyrrole (17639-64-4) + chloroacetyl chloride (79-04-9) → 3-chloroacetyl-1-tosyl-1H-pyrrole (124511-96-2) + 2-Chloro-1-[1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-ethanone

Guidance literature:

chloroacetyl chloride; With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 0.166667h;

N-p-toluenesulfonylpyrrole; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2012.09.008

Reference yield: 53.0%

2,3,4,5,6,6-hexachloro-2,4-hexadiene-1-one + 1-(1-tosyl-1H-pyrrol-3-yl)ethan-1-one (106058-85-9) → 3-chloroacetyl-1-tosyl-1H-pyrrole (124511-96-2)

Guidance literature:

In methanol; chloroform; calcium chloride;

Reference yield: 96.0%

thiourea (17356-08-0) + 3-chloroacetyl-1-tosyl-1H-pyrrole (124511-96-2) → 4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]-thiazol-2-ylamine (189011-16-3)

Guidance literature:

upstream raw materials:

1-(1-tosyl-1H-pyrrol-3-yl)ethan-1-one

N-p-toluenesulfonylpyrrole

chloroacetyl chloride

Downstream raw materials:

4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]-thiazol-2-ylamine

2-Oxo-2-(1-tosyl-1H-pyrrol-3-yl)ethyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate

Refernces

• 1、 -. "3-substituted polypyrrole". . . Retrieved 2008/06/13.