Methanesulfinate

Base Information

• Chemical Name: Methanesulfinate
• CAS No.: 43633-03-0
• Molecular Formula: CH₃O₂S
• Molecular Weight: 79.0996
• DSSTox Substance ID: DTXSID00397644
• Nikkaji Number: J1.528.138C,J380.159D
• Mol file: 43633-03-0.mol

Synonyms:Methanesulfinate;methane sulfinate;(Methylsulfonyl)radical;Methanesulfinic acidanion;DTXSID00397644;CHEBI:133603;XNEFVTBPCXGIRX-UHFFFAOYSA-M;43633-03-0

Chemical Property of Methanesulfinate

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 78.98537551
• Heavy Atom Count: 4
• Complexity: 27.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)[O-]

Technology Process of Methanesulfinate

There total 3 articles about Methanesulfinate 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%

2,4,6-tribromophenyl methanesulfonate (119440-89-0) + para-thiocresol (106-45-6) → methanesulfinate (43633-03-0) + di(p-tolyl) disulfide (103-19-5)

Guidance literature:

With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; Mechanism; Ambient temperature; the reduction of various tribromophenyl sulfonates with mercaptide anions;

Reference yield:

N-(6-hydroxynaphthalen-2-ylmethoxy)methanesulfonamide → methanesulfonamide (3144-09-0) + methanesulfinate (43633-03-0) + 6-hydroxynaphthalene-2-carbaldehyde (78119-82-1) + 6-(hydroxymethyl)-2-naphthol (309752-65-6)

Guidance literature:

In aq. phosphate buffer; [D₃]acetonitrile; for 6.46667h; pH=7; Kinetics; Irradiation;

DOI:10.1021/acs.orglett.8b04099

Reference yield:

N-[(3-hydroxynaphthalen-2-yl)methoxy]methanesulfonamide → 2-Hydroxy-3-naphthaldehyde (581-71-5) + methanesulfonamide (3144-09-0) + methanesulfinate (43633-03-0) + N-hydroxylmethanesulfonamide (50695-55-1) + 3-hydroxymethyl-2-naphthol (30159-70-7) + nitrosyl hydride

Guidance literature:

In aq. phosphate buffer; [D₃]acetonitrile; Kinetics; Irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201800092

upstream raw materials:

2,4,6-tribromophenyl methanesulfonate

para-thiocresol

Downstream raw materials:

methanesulfonate

Refernces

• 1、 Zhou, Yang,Cink, Ruth B.,Fejedelem, Zachary A.,Cather Simpson,Seed, Alexander J.,Sampson, Paul,Brasch, Nicola E.. "Development of Photoactivatable Nitroxyl (HNO) Donors Incorporating the (3-Hydroxy-2-naphthalenyl)methyl Phototrigger". . p. 1745 - 1755. Retrieved 2018/04/17.