4-(Methylsulfonyl)benzyl Alcohol

Base Information

• Chemical Name: 4-(Methylsulfonyl)benzyl Alcohol
• CAS No.: 22821-77-8
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• Hs Code.: 2906299090
• European Community (EC) Number: 676-333-6
• DSSTox Substance ID: DTXSID80396615
• Nikkaji Number: J1.923.973J
• Wikidata: Q72490753
• Mol file: 22821-77-8.mol

Synonyms:4-(Methylsulfonyl)benzyl Alcohol;22821-77-8;(4-methylsulfonylphenyl)methanol;(4-(Methylsulfonyl)phenyl)methanol;(4-methanesulfonylphenyl)methanol;Benzenemethanol, 4-(methylsulfonyl)-;P-(METHYLSULFONYL)BENZYL ALCOHOL;[4-(methylsulfonyl)phenyl]methanol;MFCD03425695;4-(Methylsulfonyl)benzylAlcohol;SCHEMBL96651;4-(methylsulfonyl)phenylmethanol;4-(methanesulfonyl)benzyl alcohol;DTXSID80396615;LUECCFBGAJOLOX-UHFFFAOYSA-N;XAA82177;CK2450;AKOS006343474;AC-7222;AM84235;FS-2217;SY005224;CS-0046235;FT-0676577;4-(Methylsulfonyl)benzyl alcohol, AldrichCPR;EN300-203549

Chemical Property of 4-(Methylsulfonyl)benzyl Alcohol

Chemical Property:

• Vapor Pressure: 7.62E-07mmHg at 25°C
• Melting Point: 82-84°C
• Refractive Index: 1.552
• Boiling Point: 391.9 °C at 760 mmHg
• PKA: 13.74±0.10(Predicted)
• Flash Point: 190.8 °C
• PSA: 62.75000
• Density: 1.284g/cm³
• LogP: 1.66320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylsulfonyl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Methylsulfonyl)benzyl Alcohol

There total 20 articles about 4-(Methylsulfonyl)benzyl Alcohol 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: 99.0%

4-(methylthio)benzyl alcohol (3446-90-0) → p-methylsulfonylbenzyl alcohol (22821-77-8)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 40 ℃; for 0.333333h;

DOI:10.1002/adma.201906437

Reference yield: 97.0%

4-(methylsulfonyl)benzyl acetate → p-methylsulfonylbenzyl alcohol (22821-77-8)

Guidance literature:

With zirconocene dichloride; diisobutylaluminium hydride; In tetrahydrofuran; at -20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03947

Reference yield: 91.0%

4-(methylthio)benzyl alcohol (3446-90-0) → p-methylsulfonylbenzyl alcohol (22821-77-8) + (4-(methylsulfinyl)phenyl)methanol (93183-64-3,106732-70-1)

Guidance literature:

With tetra-n-butylammonium hydrogen monopersulfate; In ethanol; at 25 ℃; for 0.5h;

DOI:10.1039/c3cy00554b

upstream raw materials:

methylsulfonyl-4 benzoate d'ethyle

methyl 4-(methanesulfonyl)benzoate

para-methanesulfonylbenzaldehyde

4-(methylsulfonyl)benzyl bromide

Downstream raw materials:

(4-iodomethyl-phenyl)-methyl sulfone

1-(chloromethyl)-4-(methylsulfonyl)benzene

α-Chlor-p-methansulfonyl-hydrozimtsaeure-methylester

2.3.3-Trichlor-1--propen-(2)