Benzene, 1-[(R)-butylsulfinyl]-4-methyl-

Base Information

• Chemical Name: Benzene, 1-[(R)-butylsulfinyl]-4-methyl-
• CAS No.: 20288-49-7
• Molecular Formula: C₁₁H₁₆OS
• Molecular Weight: 196.313
• DSSTox Substance ID: DTXSID80468402
• Wikidata: Q82295579
• Mol file: 20288-49-7.mol

Synonyms:Benzene, 1-[(R)-butylsulfinyl]-4-methyl-;20288-49-7;DTXSID80468402

Chemical Property of Benzene, 1-[(R)-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
• Isomeric SMILES: CCCC[S@@](=O)C1=CC=C(C=C1)C

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

There total 28 articles about Benzene, 1-[(R)-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%

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: 90.0%

n-butyl 4-methylphenyl sulfide (21784-96-3) → (R)-1-(butylsulfinyl)-4-methylbenzene (30506-35-5,67529-36-6,72174-23-3,20288-49-7) + (S)-1-(butylsulfinyl)-4-methylbenzene (20288-49-7,30506-35-5,67529-36-6,72174-23-3)

Guidance literature:

With (+)-<(8,8-dibromocamphoryl)sulfonyl>oxaziridine; In tetrachloromethane; at 20 ℃; for 1h; Yields of byproduct given;

DOI:10.1021/jo00052a050

Reference yield: 90.0%

n-butyl 4-methylphenyl sulfide (21784-96-3) → (R)-1-(butylsulfinyl)-4-methylbenzene (30506-35-5,67529-36-6,72174-23-3,20288-49-7) + (S)-1-(butylsulfinyl)-4-methylbenzene (20288-49-7,30506-35-5,67529-36-6,72174-23-3)

Guidance literature:

With (+)-<(8,8-dibromocamphoryl)sulfonyl>oxaziridine; In tetrachloromethane; at 20 ℃; for 1h; Yields of byproduct given;

DOI:10.1021/jo00052a050

upstream raw materials:

(-)-(S)-O-menthyl p-toluenesulfinate

1-bromo-butane

(-)-menthyl p-toluenesulfinate

n-butyl 4-methylphenyl sulfide

Downstream raw materials:

n-Butyl-p-tolylsulfoximin

(R)-2-Methylene-4-((R)-toluene-4-sulfinyl)-heptanoic acid

(S)-2-Methylene-4-((R)-toluene-4-sulfinyl)-heptanoic acid