Benzene, [(2-methylpropyl)sulfonyl]-

Base Information

• Chemical Name: Benzene, [(2-methylpropyl)sulfonyl]-
• CAS No.: 34009-07-9
• Molecular Formula: C10H14O2S
• Molecular Weight: 198.286
• DSSTox Substance ID: DTXSID00472147
• Nikkaji Number: J1.105.688A
• Wikidata: Q82300937
• Mol file: 34009-07-9.mol

Synonyms:2-methylpropylsulfonylbenzene;34009-07-9;(2-METHYLPROPANESULFONYL)BENZENE;Benzene, [(2-methylpropyl)sulfonyl]-;isobutyl phenyl sulfone;SCHEMBL778303;DTXSID00472147;(2-Methyl-propane-1-sulfonyl)-benzene

Chemical Property of Benzene, [(2-methylpropyl)sulfonyl]-

Chemical Property:

• PSA: 42.52000
• LogP: 3.19710
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.07145086
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, [(2-methylpropyl)sulfonyl]-

There total 6 articles about Benzene, [(2-methylpropyl)sulfonyl]- 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%

Isobutyl bromide (78-77-3) + sodium benzenesulfonate (873-55-2) → isobutyl phenyl sulfone (34009-07-9)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 15h; Inert atmosphere;

DOI:10.1055/s-0034-1378721

Reference yield: 66.0%

2-iodo-propane (75-30-9) + methylphenylsulfonate (3112-85-4) → isobutyl phenyl sulfone (34009-07-9)

Guidance literature:

methylphenylsulfonate; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h; Inert atmosphere;

2-iodo-propane; In tetrahydrofuran; hexane; at -78 - -60 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/ejoc.201301553

Reference yield: 52.0%

O-isobutyl-N,N'-di-α-(R)-phenylethylisourea (126114-25-8) + Benzenesulfinic acid (618-41-7) → isobutyl phenyl sulfone (34009-07-9) + isobutyl benzenesulfinate (126114-30-5)

Guidance literature:

In benzene; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)90108-5

upstream raw materials:

O-isobutyl-N,N'-di-α-(R)-phenylethylisourea

Benzenesulfinic acid

Isobutyl bromide

sodium benzenesulfonate

Downstream raw materials:

1-Cyclohexyl-3-methyl-2-phenylsulfonyl-1-butanon

3-benzenesulfonyl-2-methyl-tetradecan-4-one

5-hydroxy-2-methyl-3-phenylsulphonyl-decene

4-methylpent-2-en-1-ol