(3-Methoxyphenyl)methanethiol

Base Information

• Chemical Name: (3-Methoxyphenyl)methanethiol
• CAS No.: 7166-64-5
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60444264
• Nikkaji Number: J1.060.210F
• Wikidata: Q72489298
• Mol file: 7166-64-5.mol

Synonyms:(3-methoxyphenyl)methanethiol;7166-64-5;Benzenemethanethiol, 3-methoxy-;3-Methoxybenzyl mercaptan;3-Methoxyphenylmethanethiol;SCHEMBL1145617;DTXSID60444264;DUHBAVSWWIYBDM-UHFFFAOYSA-N;AKOS000169220;BS-13197;CS-0455200;EN300-60645

Chemical Property of (3-Methoxyphenyl)methanethiol

Chemical Property:

• Boiling Point: 247℃
• PKA: 9.75±0.25(Predicted)
• Flash Point: 103℃
• PSA: 48.03000
• Density: 1.072
• LogP: 2.12500
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

95% ^*data from raw suppliers

(3-Methoxyphenyl)methanethiol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CS

Technology Process of (3-Methoxyphenyl)methanethiol

There total 10 articles about (3-Methoxyphenyl)methanethiol 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: 76.0%

m-methoxybenzyl chloride (824-98-6) → m-methoxytoluene-α-thiol (7166-64-5) + bis(3-methoxybenzyl) disulfide (113917-82-1)

Guidance literature:

With piperidinium thiotungstate; In N,N-dimethyl-formamide; at 25 ℃; for 1h;

DOI:10.1021/jo00274a002

Reference yield: 17.0%

1-bromomethyl-3-methoxybenzene (874-98-6) → m-methoxytoluene-α-thiol (7166-64-5) + bis(3-methoxybenzyl) disulfide (113917-82-1)

Guidance literature:

With piperidinium thiotungstate; In N,N-dimethyl-formamide; at 25 ℃; for 1h;

DOI:10.1021/jo00274a002

Reference yield:

m-methoxybenzyl chloride (824-98-6) → m-methoxytoluene-α-thiol (7166-64-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Heating;

upstream raw materials:

m-methoxybenzyl chloride

1-bromomethyl-3-methoxybenzene

3-methoxybenzyl alcohol

3-Methoxybenzoic acid

Downstream raw materials:

4-(3-methoxybenzylsulfanyl)pyridine-2-carboxylic acid

3-methoxy-6-(3'-methoxybenzylthio)-2-(3''-trifluoromethylphenyl)imidazo<1,2-b>pyridazine

2-(2'-fluorophenyl)-3-methoxy-6-(3''-methoxybenzylthio)imidazo<1,2-b>pyridazine

3-methoxy-6-(3'-methoxybenzylthio)-2-(pyridin-4''-yl)imidazo<1,2-b>pyridazine

Refernces

• 1、 Nakamura, Tohru,Matsumoto, Mutsuyoshi. "Mercaptomethylation of aromatics". . p. 201 - 210. Retrieved 2007/10/03.
• 2、 Dhar, Preeti,Chandrasekaran, Srinivasan. "Novel Alkylation with Tetrathiotungstates and Tetrathiomolybdates: Facile Synthesis of Disulfides from Alkyl Halides". . p. 2998 - 3000. Retrieved 2007/10/02.