S-[(4-Methoxyphenyl)methyl] ethanethioate

Base Information

• Chemical Name: S-[(4-Methoxyphenyl)methyl] ethanethioate
• CAS No.: 102607-00-1
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• DSSTox Substance ID: DTXSID70542740
• Nikkaji Number: J2.454.015D
• Wikidata: Q82419491
• Mol file: 102607-00-1.mol

Synonyms:102607-00-1;S-[(4-Methoxyphenyl)methyl] ethanethioate;SCHEMBL5028690;DTXSID70542740;ethanethioic acid S-p-anisyl ester;1-{[(4-methoxyphenyl)methyl]sulfanyl}ethan-1-one;ethanethioic acid S-[(4-methoxyphenyl)-methyl] ester

Chemical Property of S-[(4-Methoxyphenyl)methyl] ethanethioate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCC1=CC=C(C=C1)OC

Technology Process of S-[(4-Methoxyphenyl)methyl] ethanethioate

There total 5 articles about S-[(4-Methoxyphenyl)methyl] ethanethioate 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: 97.0%

acetic anhydride (108-24-7) + p-Methoxybenzyl bromide (2746-25-0) → S-(4-methoxybenzyl) ethanethioate (102607-00-1)

Guidance literature:

p-Methoxybenzyl bromide; With benzyltriethylammonium tetrathiomolybdate; In acetonitrile; at 20 ℃; for 1h;

acetic anhydride; In acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1055/s-0028-1083517

Reference yield: 92.0%

acetic anhydride (108-24-7) + p-methoxybenzylmercaptan (6258-60-2) → S-(4-methoxybenzyl) ethanethioate (102607-00-1)

Guidance literature:

With nickel dichloride; at 20 ℃; for 4h;

DOI:10.1080/17415993.2020.1795175

Reference yield: 85.0%

4-Methoxybenzyl alcohol (105-13-5) + tiolacetic acid (507-09-5) → S-(4-methoxybenzyl) ethanethioate (102607-00-1)

Guidance literature:

zinc(II) iodide; In 1,2-dichloro-ethane; for 0.5h;

DOI:10.1016/S0040-4039(00)83927-1

upstream raw materials:

4-Methoxybenzyl alcohol

tiolacetic acid

acetic anhydride

p-Methoxybenzyl bromide

Downstream raw materials:

p-methoxybenzyl chloride

p-methoxybenzylmercaptan

methyl 4-[(4-methoxybenzyl)sulfanyl]benzoate

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