2-(Phenylsulfonyl)ethanol

Base Information

• Chemical Name: 2-(Phenylsulfonyl)ethanol
• CAS No.: 20611-21-6
• Molecular Formula: C8H10 O3 S
• Molecular Weight: 186.232
• Hs Code.: 29309099
• European Community (EC) Number: 626-035-7
• DSSTox Substance ID: DTXSID90174623
• Nikkaji Number: J34.769H
• Wikidata: Q72498791
• Mol file: 20611-21-6.mol

Synonyms:2-(Phenylsulfonyl)ethanol;20611-21-6;2-(Benzenesulfonyl)ethanol;ETHANOL, 2-(PHENYLSULFONYL)-;2-benzenesulfonyl-ethanol;Fenyl-2-hydroxyethylsulfon;Fenyl-2-hydroxyethylsulfon [Czech];2-Phenylsulfonylethanol;Fenyl-beta-hydroxyethylsulfon [Czech];2-(phenylsulphonyl)ethanol;BRN 1952741;Fenyl-beta-hydroxyethylsulfon;2-(Benzenesulfonyl)Ethan-1-Ol;4-06-00-01494 (Beilstein Handbook Reference);MFCD00134179;2-(phenylsulfonyl) ethanol;2-(Phenylsulfonyl)-ethanol;Phenyl-2-hydroxyethyl sulfone;Fenyl-.beta.-hydroxyethylsulfon;SCHEMBL2454945;DTXSID90174623;2-(Phenylsulfonyl)ethanol, 97%;AKOS005206723;LS-67028;A814746;J-013464

Chemical Property of 2-(Phenylsulfonyl)ethanol

Chemical Property:

• Vapor Pressure: 8.16E-06mmHg at 25°C
• Melting Point: 121.5 °C
• Refractive Index: 1.554-1.556
• Boiling Point: 360.1°Cat760mmHg
• PKA: 13.26±0.10(Predicted)
• Flash Point: 190.5°C
• PSA: 62.75000
• Density: 1.282g/cm³
• LogP: 1.53340
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

2-(Phenylsulfonyl)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Phenylsulfonyl)ethanol

There total 24 articles about 2-(Phenylsulfonyl)ethanol 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: 100.0%

2-(phenylthio)ethanol (699-12-7) → 2-(phenylsulfonyl)ethanol (20611-21-6)

Guidance literature:

With dihydrogen peroxide; phosphotungstate-non-cross-linked amphiphilic polymer compl; at 50 ℃; for 4h;

DOI:10.1055/s-2002-35596

Reference yield: 94.0%

2-(phenylthio)ethanol (699-12-7) → 2-(phenylsulfinyl)ethanol (123299-91-2,22063-21-4) + 2-(phenylsulfonyl)ethanol (20611-21-6)

Guidance literature:

With dihydrogen peroxide; In water; at 30 ℃; for 1h;

DOI:10.1021/cs4003029

Reference yield: 91.0%

2-Benzenesulfonyl-2-bromo-ethanol → 2-(phenylsulfonyl)ethanol (20611-21-6)

Guidance literature:

With methanol; triphenylphosphine; at 25 ℃;

DOI:10.1039/c39930001609

upstream raw materials:

2-(phenylthio)ethanol

1,2-bis(phenylsulfonyl)ethane

PVS

sodium benzenesulfonate

Downstream raw materials:

methanesulfonic acid-(2-benzenesulfonyl-ethyl ester)

ethanol

Benzenesulfinic acid

2-(phenylsulfonyl)ethyl trifluoromethanesulfonate