2,4-Dimethoxythiophenol

Base Information

• Chemical Name: 2,4-Dimethoxythiophenol
• CAS No.: 18906-37-1
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 2930909090
• European Community (EC) Number: 675-546-1
• DSSTox Substance ID: DTXSID20374351
• Nikkaji Number: J1.928.147G
• Wikidata: Q72468622
• Mol file: 18906-37-1.mol

Synonyms:2,4-Dimethoxythiophenol;18906-37-1;2,4-dimethoxybenzenethiol;2,4-dimethoxybenzene-1-thiol;2,4-Dimethoxy-benzenethiol;SCHEMBL1402481;DTXSID20374351;AKOS009266203;BS-15849;CS-0150487;FT-0694445;D82218;EN300-1262501

Chemical Property of 2,4-Dimethoxythiophenol

Chemical Property:

• Vapor Pressure: 0.00734mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 278.1 °C at 760 mmHg
• Flash Point: 122 °C
• PSA: 57.26000
• Density: 1.134 g/cm³
• LogP: 1.99250
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98% or more ^*data from raw suppliers

2,4-Dimethoxythiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)S)OC
• Uses: 2,4-dimethoxybenzene-1-thiol is a phenolic derivative and can be used as a pharmaceutical intermediate.

Technology Process of 2,4-Dimethoxythiophenol

There total 9 articles about 2,4-Dimethoxythiophenol 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: 95.0%

3-(2,4-dimethoxyphenyl)-sulfanyl-propionic acid methyl ester (571167-30-1) → 2,4-dimethoxybenzenethiol (18906-37-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -78 ℃; for 0.166667h;

DOI:10.1021/jo034013h

Reference yield: 35.0%

N-(2,4-dimethoxyphenylthio)phthalimide (160855-21-0) → 2,4-dimethoxybenzenethiol (18906-37-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

1,3-Dimethoxybenzene (151-10-0) → 2,4-dimethoxybenzenethiol (18906-37-1)

Guidance literature:

Multistep reaction; (i) S₂Cl₂, Fe, (ii) Zn, aq. HCl;

upstream raw materials:

2,4-Dimethoxyaniline

2,4-dimethoxybenzenesulfonylchloride

1,3-Dimethoxybenzene

N-(2,4-dimethoxyphenylthio)phthalimide

Downstream raw materials:

2,4-dimethoxy-1-(methylsulfanyl)benzene

1-(2,4-dimethoxyphenylthio)-3-(1H-indol-1-yl)propan-2-ol

1-(2,4-Dimethoxy-5-methylthiophenyl)-2-nitropropen

5-Methylthio-2,4-dimethoxyamphetamine

Refernces

• 1、 Becht, Jean-Michel,Wagner, Alain,Mioskowski, Charles. "Facile introduction of SH group on aromatic substrates via electrophilic substitution reactions". . p. 5758 - 5761. Retrieved 2007/10/03.
• 2、 Jacob III,Anderson III,Meshul,Shulgin,Castagnoli Jr.. "Monomethylthio analogues of 1-(2,4,5-trimethoxyphenyl)-2-aminopropane". . p. 1235 - 1239. Retrieved 2007/10/06.