2-Chlorothioanisole

Base Information

• Chemical Name: 2-Chlorothioanisole
• CAS No.: 17733-22-1
• Molecular Formula: C7H7ClS
• Molecular Weight: 158.652
• Hs Code.: 2930909090
• European Community (EC) Number: 628-758-3
• DSSTox Substance ID: DTXSID10938921
• Nikkaji Number: J380.972B
• Wikidata: Q72459887
• Mol file: 17733-22-1.mol

Synonyms:2-chlorophenyl methyl sulfide;2-CPMS

Chemical Property of 2-Chlorothioanisole

Chemical Property:

• Vapor Pressure: 0.00216mmHg at 25°C
• Refractive Index: n20/D 1.608(lit.)
• Boiling Point: 211.1 °C at 760 mmHg
• Flash Point: 69.4 °C
• PSA: 25.30000
• Density: 1,22 g/cm³
• LogP: 3.06190
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Stench
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.9956991
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98% min ^*data from raw suppliers

2-Chlorothioanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC1=CC=CC=C1Cl
• Uses: 2-Chlorothioanisole may be used to synthesize 2-chlorophenyl methyl sulfone.

Technology Process of 2-Chlorothioanisole

There total 20 articles about 2-Chlorothioanisole 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: 97.0%

2-chlorophenyl methyl sulfoxide (139696-88-1,141195-18-8,7321-57-5) → 2-chlorothioanisole (17733-22-1)

Guidance literature:

With potassium borohydride; hafnium tetrachloride; In tetrahydrofuran; for 12.5h; Inert atmosphere; Reflux;

DOI:10.1080/00397910903161819

Reference yield: 89.0%

2-chlorothiphenol (6320-03-2) + methyl iodide (74-88-4) → 2-chlorothioanisole (17733-22-1)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In benzene; for 24h; Ambient temperature;

DOI:10.1016/S0957-4166(99)00078-6

Reference yield: 82.0%

2-Chlorobenzenediazonium o-benzenedisulfonimide + sodium thiomethoxide (5188-07-8) → Dimethyldisulphide (624-92-0) + 2-chlorothioanisole (17733-22-1) + sodium o-benzenedisulfonimide

Guidance literature:

In methanol; at 0 - 5 ℃;

DOI:10.1021/jo0003347

upstream raw materials:

2-chlorothiphenol

Dithiopivalinsaeure-2-chlorphenylester

methylthiol

1,2-dichloro-benzene

Downstream raw materials:

2-chlorophenyl methyl sulfoxide

S-methyl-S-(2-chlorophenyl)-N-p-tosylsulfilimine

(R)-(+)-o-chlorophenyl methyl sulfoxide

benzyl o-methylsulfonylphenyl sulfide

Refernces

• 1、 Miao, Ren-Guan,Qi, Xinxin,Wu, Xiao-Feng. "Synthesis of Aryl Methyl Sulfides from Arysulfonyl Chlorides with Dimethyl Carbonate as the Solvent and C1 Source". supporting information. p. 5219 - 5221. Retrieved 2021/10/19.
• 2、 Zhang, Bo,Fan, Zhengning,Guo, Zhiqiang,Xi, Chanjuan. "Reduction of CO2 with NaBH4/I2 for the Conversion of Thiophenols to Aryl Methyl Sulfides". . p. 8661 - 8667. Retrieved 2019/07/03.