1-Methyl-3-(propane-2-sulfinyl)benzene

Base Information

• Chemical Name: 1-Methyl-3-(propane-2-sulfinyl)benzene
• CAS No.: 84321-31-3
• Molecular Formula: C10H14OS
• Molecular Weight: 182.287
• DSSTox Substance ID: DTXSID90572044
• Nikkaji Number: J1.094.092C
• Mol file: 84321-31-3.mol

Synonyms:84321-31-3;1-Methyl-3-(propane-2-sulfinyl)benzene;SCHEMBL18739048;DTXSID90572044

Chemical Property of 1-Methyl-3-(propane-2-sulfinyl)benzene

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.07653624
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)S(=O)C(C)C

Technology Process of 1-Methyl-3-(propane-2-sulfinyl)benzene

There total 1 articles about 1-Methyl-3-(propane-2-sulfinyl)benzene 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: 84.0%

isopropyl m-tolyl sulphide (14905-80-7) → 1-methyl-3-(propane-2-sulfinyl)-benzene (84321-31-3)

Guidance literature:

With dihydrogen peroxide; (SiO₂-O₃SiCH₂CH₂CH₂NH₃⁺)2WO₄^2-; In methanol; dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/ol047635d

Reference yield: 90.0%

1-methyl-3-(propane-2-sulfinyl)-benzene (84321-31-3) → isopropyl m-tolyl sulphide (14905-80-7)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2003-37349

Reference yield:

1-methyl-3-(propane-2-sulfinyl)-benzene (84321-31-3) → (R)-1-(isopropylsulfinyl)-3-methylbenzene (84413-70-7) + C10H14OS

Guidance literature:

1-methyl-3-(propane-2-sulfinyl)-benzene; With (1R,2S)-2-ammonio-1,2-Ph₂-ethanol 2-anthraquinonecarboxylate; In hexane; for 4h;

With Daicel Chiralcel OB-H; In hexane; isopropyl alcohol; Further stages. Title compound not separated from byproducts.;

DOI:10.1016/j.tetasy.2007.11.041

upstream raw materials:

isopropyl m-tolyl sulphide

Downstream raw materials:

isopropyl m-tolyl sulphide

(R)-1-(isopropylsulfinyl)-3-methylbenzene