(Benzenesulfonyl)methanol

Base Information

• Chemical Name: (Benzenesulfonyl)methanol
• CAS No.: 51091-79-3
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.205
• DSSTox Substance ID: DTXSID20505885
• Nikkaji Number: J2.770.059D
• Wikidata: Q82361293
• Mol file: 51091-79-3.mol

Synonyms:51091-79-3;(Benzenesulfonyl)methanol;SCHEMBL3329012;DTXSID20505885

Chemical Property of (Benzenesulfonyl)methanol

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.01941529
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Benzenesulfonyl)methanol

There total 5 articles about (Benzenesulfonyl)methanol 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: 89.0%

bromomethylphenylsulfone (19169-90-5) → hydroxymethyl phenyl sulfone (51091-79-3)

Guidance literature:

With cesium formate; In methanol; for 50h; Reflux; Inert atmosphere;

DOI:10.1016/j.jorganchem.2009.06.031

Reference yield:

hydroxymethyl phenyl sulfide (26905-22-6) → hydroxymethyl phenyl sulfone (51091-79-3)

Guidance literature:

With 22C₂H₇N*22H⁽¹⁺⁾*124H₂O*18Na⁽¹⁺⁾*2Ti₇O₆(SbW₉O₃₃)4^(20-); dihydrogen peroxide; In acetonitrile; at 60 ℃; for 1h; Temperature;

DOI:10.1021/acs.cgd.8b01474

Reference yield:

hydroxymethyl phenyl sulfide (26905-22-6) → C7H8O2S (1313537-36-8) + hydroxymethyl phenyl sulfone (51091-79-3)

Guidance literature:

With 22C₂H₇N*22H⁽¹⁺⁾*124H₂O*18Na⁽¹⁺⁾*2Ti₇O₆(SbW₉O₃₃)4^(20-); dihydrogen peroxide; In acetonitrile; at 50 ℃; for 1h; Temperature;

DOI:10.1021/acs.cgd.8b01474

upstream raw materials:

Benzenesulfinic acid

bromomethylphenylsulfone

hydroxymethyl phenyl sulfide

rongalite

Downstream raw materials:

benzenesulfonyl-benzoyloxy-methane

acetic acid-(benzenesulfonyl-methyl ester)

N-benzenesulfonylmethyl-N-methyl-aniline

4-benzenesulfonylmorpholine