Benzylthioacetate

Base Information

• Chemical Name: Benzylthioacetate
• CAS No.: 32362-99-5
• Molecular Formula: C9H10 O S
• Molecular Weight: 166.244
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90448331
• Nikkaji Number: J427.447D
• Wikidata: Q72443117
• Mol file: 32362-99-5.mol

Synonyms:Aceticacid, thio-, S-benzyl ester (6CI,7CI,8CI); Phenylmethanethiol acetate; S-Benzylthioacetate; S-Benzylthioacetic acid

Chemical Property of Benzylthioacetate

Chemical Property:

• PSA: 42.37000
• LogP: 2.46630
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

BENZYL THIOACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzylthioacetate

There total 60 articles about Benzylthioacetate 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: 100.0%

acetic anhydride (108-24-7) + phenylmethanethiol (100-53-8) → benzylthioacetate (32362-99-5)

Guidance literature:

acetic anhydride; With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 0.5h;

phenylmethanethiol; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jo048363v

Reference yield: 99.0%

benzyl t-butyl sulfide (7417-73-4) + acetyl chloride (75-36-5) → benzylthioacetate (32362-99-5)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃; for 0.00138889h; Reagent/catalyst; Green chemistry;

DOI:10.1039/c4ob02120g

Reference yield: 98.0%

benzyl bromide (100-39-0) + tiolacetic acid (507-09-5) → benzylthioacetate (32362-99-5)

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2006.09.093

upstream raw materials:

benzyl tosylate

potassium thioacetate

Dibenzyl sulfoxide

acetic anhydride

Downstream raw materials:

trithioorthoacetic acid tribenzyl ester

benzyl but-3-enyl sulfide

4-(benzylthio)-1-(trimethylsilyl)-1-butyne

5-(benzylthio)-1-(trimethylsilyl)-1-pentyne

Refernces

• 1、 Singh, Pallavi,Peddinti, Rama Krishna. "Methanesulfonic anhydride-promoted sustainable synthesis of thioesters from feedstock acids and thiols". . . Retrieved 2021/02/22.
• 2、 Gao, Yanjing,Hu, Xiuyuan,Jiang, Shengling,Sun, Fang,Yu, Jia. "Naphthalimide derivatives containing benzyl-sulfur bond as cleavable photoinitiators for near-UV LED polymerization". . p. 1 - 19. Retrieved 2020/07/28.