1,2-Dimethoxy-3-(methylthio)benzene

Base Information

• Chemical Name: 1,2-Dimethoxy-3-(methylthio)benzene
• CAS No.: 51506-47-9
• Molecular Formula: C9H12O2S
• Molecular Weight: 184.26
• DSSTox Substance ID: DTXSID00345307
• Wikidata: Q82117698
• Mol file: 51506-47-9.mol

Synonyms:1,2-Dimethoxy-3-(methylthio)benzene;51506-47-9;1,2-dimethoxy-3-methylsulfanylbenzene;1,2-DIMETHOXY-3-(METHYL-THIO)-BENZENE;1,2-Dimethoxy-3-(methylsulfanyl)benzene;SCHEMBL8425831;DTXSID00345307;AKOS024323424;1,2-Dimethoxy-3-(methylsulfanyl)benzene #;1,2-DIMETHOXY-3-METHYLSULFANYL-BENZENE

Chemical Property of 1,2-Dimethoxy-3-(methylthio)benzene

Chemical Property:

• Vapor Pressure: 0.0295mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 253.2°C at 760 mmHg
• Flash Point: 106.9°C
• PSA: 43.76000
• Density: 1.11g/cm³
• LogP: 2.42570
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 184.05580079
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

1,2-Dimethoxy-3-(methylthio)-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)SC)OC

Technology Process of 1,2-Dimethoxy-3-(methylthio)benzene

There total 2 articles about 1,2-Dimethoxy-3-(methylthio)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: 71.0%

1,2-dimethoxybenzene (91-16-7) + dimethylsulfide (75-18-3) → 2,3-dimethoxythioanisole (51506-47-9)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; Petroleum ether; for 0.5h;

DOI:10.1021/jm00143a017

Reference yield: 71.0%

1,2-dimethoxybenzene (91-16-7) + Dimethyldisulphide (624-92-0) → 2,3-dimethoxythioanisole (51506-47-9)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; Petroleum ether;

Reference yield: 86.0%

2,3-dimethoxythioanisole (51506-47-9) → 1,2-dimethoxy-3-(methylsulfonyl)benzene (38452-45-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 18h; Ambient temperature;

DOI:10.1021/jm00124a017

upstream raw materials:

1,2-dimethoxybenzene

dimethylsulfide

Dimethyldisulphide

Downstream raw materials:

1,2-dimethoxy-3-(methylsulfonyl)benzene

2-(methylthio)-3,4-dimethoxy-β-nitrostyrene

4-(methylthio)-2,3-dimethoxy-β-nitrostyrene

4-(methylthio)-2,3-dimethoxybenzaldehyde