1-Chloro-2-[(phenylsulfonyl)methyl]benzene

Base Information

• Chemical Name: 1-Chloro-2-[(phenylsulfonyl)methyl]benzene
• CAS No.: 91110-67-7
• Molecular Formula: C13H11 Cl O2 S
• Molecular Weight: 266.748
• NSC Number: 135169
• DSSTox Substance ID: DTXSID10300169
• Wikidata: Q82043021
• Mol file: 91110-67-7.mol

Synonyms:1-chloro-2-[(phenylsulfonyl)methyl]benzene;1-(benzenesulfonylmethyl)-2-chlorobenzene;91110-67-7;NSC135169;DTXSID10300169;AKOS034474721;NSC-135169;Z57600624

Chemical Property of 1-Chloro-2-[(phenylsulfonyl)methyl]benzene

Chemical Property:

• Vapor Pressure: 8.19E-08mmHg at 25°C
• Boiling Point: 448.5°Cat760mmHg
• Flash Point: 225°C
• Density: 1.308g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 266.0168285
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2Cl

Technology Process of 1-Chloro-2-[(phenylsulfonyl)methyl]benzene

There total 5 articles about 1-Chloro-2-[(phenylsulfonyl)methyl]benzene 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: 94.0%

CF3O3S(1-)*C10H15ClN(1+) + sodium benzenesulfonate (873-55-2) → 1-chloro-2-(phenylsulfonylmethyl)benzene (91110-67-7)

Guidance literature:

With copper(I) oxide; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tetlet.2020.152320

Reference yield: 62.0%

C10H15ClN(1+)*I(1-) + phenylboronic acid (98-80-6) → 1-chloro-2-(phenylsulfonylmethyl)benzene (91110-67-7)

Guidance literature:

phenylboronic acid; With nickel(II) triflate; sodium metabisulfite; 3,4,7,8-Tetramethyl-o-phenanthrolin; lithium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 16h; Inert atmosphere;

C₁₀H₁₅ClN⁽¹⁺⁾*I^(1-); at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.mcat.2021.111500

Reference yield:

1-(2-chlorophenyl)-N,N-dimethylmethanamine (10175-31-2) → 1-chloro-2-(phenylsulfonylmethyl)benzene (91110-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Cooling with ice

2: copper(I) oxide; potassium carbonate / N,N-dimethyl-formamide / 24 h / 120 °C / Sealed tube

With copper(I) oxide; potassium carbonate; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2020.152320

upstream raw materials:

(2-chlorobenzyl)(phenyl)sulfane

sodium benzenesulfonate

1-chloro-2-(chloromethyl)benzene

1-(2-chlorophenyl)-N,N-dimethylmethanamine

Downstream raw materials:

4-benzenesulfonyl-4-(2-chloro-phenyl)-butyronitrile

4-benzenesulfonyl-4-(2-chloro-phenyl)-heptanedinitrile

(E)-2,2'-dichlorostilbene

(Z)-1,2-bis(2-chlorophenyl)ethene