3-Ethylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 3-Ethylbenzene-1-sulfonyl chloride
• CAS No.: 34586-44-2
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• European Community (EC) Number: 839-180-8
• Mol file: 34586-44-2.mol

Synonyms:3-ethylbenzene-1-sulfonyl chloride;34586-44-2;3-ethylbenzenesulfonyl chloride;Benzenesulfonyl chloride,3-ethyl-;SCHEMBL958043;3-ethylbenzene-1-sulfonylchloride;AKOS009145528;EN300-102363;G49497

Chemical Property of 3-Ethylbenzene-1-sulfonyl chloride

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)S(=O)(=O)Cl

Technology Process of 3-Ethylbenzene-1-sulfonyl chloride

There total 4 articles about 3-Ethylbenzene-1-sulfonyl chloride 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: 14.0%

m-ethylaniline (587-02-0) → 3-ethylbenzene-1-sulfonyl chloride (34586-44-2)

Guidance literature:

m-ethylaniline; With sodium nitrite; In water; acetic acid; at 0 - 5 ℃; for 0.5h;

With sulfur dioxide; copper(l) chloride; In water; acetic acid; at 0 - 20 ℃; for 0.75h;

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → p-ethylbenzenesulfonic acid (98-69-1) + p-ethylbenzenesulfonyl chloride (16712-69-9) + 2-ethyl-benzenesulfonic acid (91-24-7) + 3-ethylbenzene-1-sulfonyl chloride (34586-44-2) + 2-ethylbenzenesulfonyl chloride (34586-43-1) + 3-ethyl-benzenesulfonic acid (138-29-4)

Guidance literature:

With chlorosulfonic acid; at 25 ℃; for 1.5h; Product distribution;

Reference yield:

1-Ethyl-3-trimethylsilylbenzol (17988-51-1) → 3-ethylbenzene-1-sulfonyl chloride (34586-44-2)

Guidance literature:

With trimethylsilylsulfonyl chloride; In tetrachloromethane; for 16h; Heating;

DOI:10.1016/S0040-4020(01)81469-1

upstream raw materials:

ethylbenzene

1-Ethyl-3-trimethylsilylbenzol

m-ethylaniline

2-Ethyl-1,4-bis-trimethylsilanyl-benzene

Downstream raw materials:

Sodium; 3-ethyl-benzenesulfonate

5-(4-chlorophenyl)-1,2-dimethyl-N-(3-(4-methylpiperazin-1-yl)propyl)-4-(3-(4-(4-(3-ethylphenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-1H-pyrrole-3-carboxamide