Benzene, 1-methoxy-2-(methylsulfinyl)-

Base Information

• Chemical Name: Benzene, 1-methoxy-2-(methylsulfinyl)-
• CAS No.: 38452-13-0
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• DSSTox Substance ID: DTXSID00450622
• Nikkaji Number: J283.996B
• Mol file: 38452-13-0.mol

Synonyms:Benzene, 1-methoxy-2-(methylsulfinyl)-;2-(Methylsulfinyl)anisole;SCHEMBL515207;o-methoxyphenyl methyl sulphoxide;DTXSID00450622;KFDMXBDWLHODTQ-UHFFFAOYSA-N;(-)-methyl methoxyphenyl sulfoxide;1-METHANESULFINYL-2-METHOXYBENZENE

Chemical Property of Benzene, 1-methoxy-2-(methylsulfinyl)-

Chemical Property:

• Melting Point: 44 °C
• Boiling Point: 323.8±25.0 °C(Predicted)
• PSA: 45.51000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 2.29830
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1S(=O)C

Technology Process of Benzene, 1-methoxy-2-(methylsulfinyl)-

There total 13 articles about Benzene, 1-methoxy-2-(methylsulfinyl)- 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: 99.3%

1-methoxy-2-(methylsulfanyl)benzene (2388-73-0) → 1-methylsulfinyl-2-methoxybenzene (38452-13-0)

Guidance literature:

With urea hydrogen peroxide; 1-ethyl-3-methylimidazolium tetrafluoroborate; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2008.07.051

Reference yield: 95.0%

1-methoxy-2-(methylsulfanyl)benzene (2388-73-0) → 1-methylsulfinyl-2-methoxybenzene (38452-13-0) + 1-methanesulfonyl-2-methoxy-benzene (13736-79-3)

Guidance literature:

With dihydrogen peroxide; titanium binaphthyl-bridged Schiff base; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2006.07.133

Reference yield: 80.0%

3-(2-methoxyphenylsulfinyl)propionic acid ethyl ester (850175-28-9) + methyl iodide (74-88-4) → 2-methoxybenzenesulfenic acid methyl ester + 1-methylsulfinyl-2-methoxybenzene (38452-13-0)

Guidance literature:

3-(2-methoxyphenylsulfinyl)propionic acid ethyl ester; With potassium tert-butylate; In tetrahydrofuran; at -78 ℃; for 0.333333h;

methyl iodide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jo0478003

upstream raw materials:

1-methoxy-2-(methylsulfanyl)benzene

N-chloro-4-methylbenzenesulfonamide

2-Methoxybenzenethiol

methyl iodide

Downstream raw materials:

Cr(CO)3(C₆H₄(SCH₃)OCH₃)

pentacarbonyl[1-methoxy-2-(methylthio)benzene-S]chromium⁽⁰⁾

(CO)5Cr(CH₃OC₆H₄S(O)CH₃)

N-(benzyloxycarbonyl)-S-methyl-S-(2-methoxyphenyl)sulfilimine