2-Chloro-1-methyl-4-(methylsulfonyl)benzene

Base Information

• Chemical Name: 2-Chloro-1-methyl-4-(methylsulfonyl)benzene
• CAS No.: 1671-18-7
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 465-910-6
• DSSTox Substance ID: DTXSID50453441
• Nikkaji Number: J1.837.655E
• Wikidata: Q72455271
• Mol file: 1671-18-7.mol

Synonyms:1671-18-7;2-Chloro-1-methyl-4-(methylsulfonyl)benzene;2-Chloro-1-methyl-(4-methylsulfonyl) benzene;2-Chloro-1-methyl-(4-methylsulfonyl)benzene;2-CHLORO-4-(METHYLSULFONYL)TOLUENE;2-chloro-1-methyl-4-methylsulfonylbenzene;2-Chloro-1-methyl-4-(methylsulfonyl)-benzene;EC 465-910-6;2-chlor-4-(methylsulfonyl)toluol;MFCD03840817;SCHEMBL863161;DTXSID50453441;AKOS015909406;PB26102;AC-12551;BS-21686;CS-0053930;2-Chloro-4-(methanesulfonyl)-1-methylbenzene;2-CHLORO-4-METHANESULFONYL-1-METHYLBENZENE;A856794;J-010339

Chemical Property of 2-Chloro-1-methyl-4-(methylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 95-96 °C
• Refractive Index: 1.535
• Boiling Point: 351°Cat760mmHg
• Flash Point: 166.1°C
• PSA: 42.52000
• Density: 1.283g/cm³
• LogP: 3.13270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99.9% ^*data from raw suppliers

2-Chloro-1-methyl-(4-methylsulfonyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C)Cl
• Uses: 2-Chloro-1-methyl-(4-methylsulfonyl)benzene can be used as herbicides.

Technology Process of 2-Chloro-1-methyl-4-(methylsulfonyl)benzene

There total 6 articles about 2-Chloro-1-methyl-4-(methylsulfonyl)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: 95.2%

Methyl p-tolyl sulfone (3185-99-7) → 4-methylsulfonyl-1-methyl-2-chlorobenzene (1671-18-7)

Guidance literature:

With sulfuric acid; chlorine; at 52 ℃; for 3h; Temperature; Reagent/catalyst; Concentration;

Reference yield: 74.0%

2,4-dichlorotoluene (95-73-8) + sodium methansulfinate (20277-69-4) → 4-methylsulfonyl-1-methyl-2-chlorobenzene (1671-18-7)

Guidance literature:

With potassium phosphate; copper(l) iodide; (2S,4R)-4-hydroxy-N-(2-methylnaphthalen-1-yl)pyrrolidine-2-carboxamide; In dimethyl sulfoxide; at 120 ℃; Sealed tube; Inert atmosphere;

DOI:10.1002/cjoc.201700477

Reference yield:

4-methyl-3-chlorobenzenesulfinic acid (488737-19-5) → 4-methylsulfonyl-1-methyl-2-chlorobenzene (1671-18-7)

Guidance literature:

upstream raw materials:

Methyl p-tolyl sulfone

3-Chloro-4-methylphenyl methyl sulphide

2,4-dichlorotoluene

4-methyl-3-chlorobenzenesulfinic acid

Downstream raw materials:

2-chloro-4-(methylsulphonyl)benzoyl chloride

vismodegib

2-chloro-4-(methanesulfonyl)benzoic acid

3-Chlor-5-methylsulfonyl-2-methyl-benzol-sulfonsaeure-⁽²⁾-anilid

Refernces

• 1、 Ma, Dawei,Niu, Songtao,Zhao, Jinlong,Jiang, Xi,Jiang, Yongwen,Zhang, Xiaojing,Sun, Tiemin. "A New Class of Amide Ligands Enable Cu-Catalyzed Coupling of Sodium Methanesulfinate with (Hetero)aryl Chlorides". supporting information. p. 1661 - 1664. Retrieved 2017/10/30.
• 2、 -. "Process for the preparation of alkyl 3-chlorophenyl sulfones". . . Retrieved 2008/06/13.