Methanesulfonic acid 4-mercaptophenyl ester

Base Information

• Chemical Name: Methanesulfonic acid 4-mercaptophenyl ester
• CAS No.: 62262-84-4
• Molecular Formula: C7H8O3S2
• Molecular Weight: 204.271
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90542782
• Nikkaji Number: J43.083H
• Wikidata: Q82419540
• Mol file: 62262-84-4.mol

Synonyms:62262-84-4;methanesulfonic acid 4-mercaptophenyl ester;(4-sulfanylphenyl) methanesulfonate;4-METHYLSULFONYLOXY BENZENETHIOL;SCHEMBL936248;4-(methanesulfonyloxy)thiophenol;4-Sulfanylphenyl methanesulfonate;DTXSID90542782;MFCD18975964;4-METHYLSULFONYLOXYBENZENETHIOL;F16829

Chemical Property of Methanesulfonic acid 4-mercaptophenyl ester

Chemical Property:

• PSA: 90.55000
• LogP: 2.39450
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.99148646
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OC1=CC=C(C=C1)S

Technology Process of Methanesulfonic acid 4-mercaptophenyl ester

There total 5 articles about Methanesulfonic acid 4-mercaptophenyl ester 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: 92.0%

methanesulfonic acid 4-chlorosulfonylphenyl ester (77154-19-9) → methanesulfonic acid 4-mercaptophenyl ester (62262-84-4)

Guidance literature:

methanesulfonic acid 4-chlorosulfonylphenyl ester; With phosphorus; iodine; acetic acid; at 118 ℃; for 2h;

With water; for 1h; Heating / reflux;

Reference yield:

S-(4-(methanesulfonyloxy)phenyl] thioacetate (66202-82-2) + thiophenol (108-98-5) → methanesulfonic acid 4-mercaptophenyl ester (62262-84-4)

Guidance literature:

With hydrogenchloride; In methanol; chloroform;

Reference yield:

p-hydoroxybenzenesulfonic acid (98-67-9) → methanesulfonic acid 4-mercaptophenyl ester (62262-84-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / water / 2 h / 0 - 20 °C

2: N,N-dimethyl-formamide; thionyl chloride / 4 h / 0 - 80 °C

3: iodine; phosphorus; acetic acid / 3 h / Reflux

With thionyl chloride; phosphorus; iodine; acetic acid; N,N-dimethyl-formamide; sodium hydroxide; In water;

upstream raw materials:

methanesulfonic acid 4-chlorosulfonylphenyl ester

S-(4-(methanesulfonyloxy)phenyl] thioacetate

thiophenol

4-methanesulfonyloxybenzenesulfonic acid

Downstream raw materials:

Methanesulfonic acid 4-phenylcarbamoylsulfanyl-phenyl ester

Methanesulfonic acid 4-(2-chloro-phenylcarbamoylsulfanyl)-phenyl ester

Methanesulfonic acid 4-(4-chloro-phenylcarbamoylsulfanyl)-phenyl ester

Methanesulfonic acid 4-(3-chloro-phenylcarbamoylsulfanyl)-phenyl ester

Refernces

• 1、 -. "PHENYL-SULFAMATES AS AROMATASE INHIBITORS". Page/Page column 110-111. . Retrieved 2008/06/13.
• 2、 -. "O,S-dialkyl O(S)-sulfonyloxy(thio)phenyl phosphorothiolates and phosphorodi(tri)thioates". . . Retrieved 2008/06/13.