Benzene, 1-(butylsulfinyl)-4-methyl-

Base Information

• Chemical Name: Benzene, 1-(butylsulfinyl)-4-methyl-
• CAS No.: 30506-35-5
• Molecular Formula: C11H16OS
• Molecular Weight: 196.313
• DSSTox Substance ID: DTXSID70439949
• Nikkaji Number: J370.927B
• Mol file: 30506-35-5.mol

Synonyms:n-butyl p-tolyl sulfoxide;Benzene, 1-(butylsulfinyl)-4-methyl-;30506-35-5;p-Tolylbutyl sulfoxide;SCHEMBL6321020;DTXSID70439949

Chemical Property of Benzene, 1-(butylsulfinyl)-4-methyl-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.09218630
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, 1-(butylsulfinyl)-4-methyl-

There total 50 articles about Benzene, 1-(butylsulfinyl)-4-methyl- 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: 97.0%

n-butyl 4-methylphenyl sulfide (21784-96-3) → butyl(p-tolyl)sulfoxide (30506-35-5)

Guidance literature:

With dihydrogen peroxide; In water; at 20 ℃; for 3.5h; chemoselective reaction;

DOI:10.1002/adsc.201100149

Reference yield: 97.0%

butyl magnesium bromide (693-04-9) + (1S,5R,7R)-10,10-Dimethyl-4-((R)-toluene-4-sulfinyl)-3-thia-4-aza-tricyclo[5.2.1.01,5]decane 3,3-dioxide (190448-84-1) → (R)-1-(butylsulfinyl)-4-methylbenzene (30506-35-5,67529-36-6,72174-23-3,20288-49-7)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1016/S0040-4039(97)00472-3

Reference yield: 92.0%

1-iodo-butane (542-69-8) + Z-2-carbomethoxyethenyl p-tolyl sulfoxide → butyl(p-tolyl)sulfoxide (30506-35-5)

Guidance literature:

Z-2-carbomethoxyethenyl p-tolyl sulfoxide; With n-butyllithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

1-iodo-butane; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/jo302769b

upstream raw materials:

p-methylbenzenesulfenyl chloride

2-hydroxy-3-butene

n-butyllithium

N-Methyl-N-phenyl-p-toluolsulfinamid

Downstream raw materials:

n-butyl 4-methylphenyl sulfide

(S)-1-(butylsulfinyl)-4-methylbenzene

4-methyldiphenylamine

(R)-1-(butylsulfinyl)-4-methylbenzene