Methyl benzenesulfinate

Base Information

• Chemical Name: Methyl benzenesulfinate
• CAS No.: 670-98-4
• Molecular Formula: C7H8O2S
• Molecular Weight: 156.205
• Hs Code.: 2930909090
• European Community (EC) Number: 675-466-7
• DSSTox Substance ID: DTXSID00985823
• Nikkaji Number: J675.376K
• Mol file: 670-98-4.mol

Synonyms:Methyl benzenesulfinate;670-98-4;methyl phenylsulfinate;methylbenZENESULFINATE;benzenesulfinic acid methyl ester;methyl benzene sulfinate;MFCD00674051;Benzenesulfinic acid, methyl ester;MEOS(O)PH;Methyl benzenesulfinate, 98%;SCHEMBL950283;DTXSID00985823;PSNSVDSRLUYDKF-UHFFFAOYSA-N;CS-M2210;AKOS006221859;DS-4178;SY050665;FT-0659408;M2971;N11940;EN300-7406427;A835630

Chemical Property of Methyl benzenesulfinate

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 260.3 °C at 760 mmHg
• Flash Point: 111.2 °C
• PSA: 45.51000
• Density: 1.26 g/cm³
• LogP: 2.22130
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl Benzenesulfinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COS(=O)C1=CC=CC=C1
• Uses: Methyl Benzenesulfinate is a reagent used in the synthesis of sulfinyl compounds. Methyl benzenesulfinate may be employed for the synthesis of symmetrical disulfides.

Technology Process of Methyl benzenesulfinate

There total 48 articles about Methyl benzenesulfinate 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: 98.0%

methanol (67-56-1) + Benzenesulfinic acid (618-41-7) → methyl benzenesulfinate (670-98-4)

Guidance literature:

With Ethyl isocyanoacetate; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1002/adsc.202100915

Reference yield: 94.0%

methanol (67-56-1) + thiophenol (108-98-5) → methyl benzenesulfinate (670-98-4)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; at 20 ℃; for 8h; Green chemistry;

DOI:10.1080/17415993.2021.1928669

Reference yield: 91.0%

methanol (67-56-1) + diphenyldisulfane (882-33-7) → methyl benzenesulfinate (670-98-4)

Guidance literature:

With N-Bromosuccinimide; for 1h; Ambient temperature;

DOI:10.1055/s-1988-27535

upstream raw materials:

methanol

benzenesulphinyl chloride

methoxy-phenyl-sulfane

diphenyldisulfane

Downstream raw materials:

ethyl benzenesulfinate

3β-hydroxy-16ξ-phenylsulfinyl-5-androsten-17-one 3-tetrahydropyranyl ether

(+/-)_S-isopropyl phenylsulfinate

2,5-dimethyl-4-(phenylsulfinyl)phenol

Refernces

• 1、 Yang, Jianjing,Dong, Haozhe,Yan, Kelu,Song, Xiaodan,Yu, Jie,Wen, Jiangwei. "Isocyanide-Induced Esterification of Sulfinic Acids to Access Sulfinates". supporting information. p. 5417 - 5421. Retrieved 2021/09/29.
• 2、 Zhang, Guofu,Fan, Qiankun,Wang, Huimin,Zhao, Yiyong,Ding, Chengrong. "NaHSO3-Mediated Direct Synthesis of Sulfinic Esters from Sulfonyl Hydrazides under Transition-Metal-Free Conditions". supporting information. p. 833 - 837. Retrieved 2020/12/07.