tert-Butyl 2-(phenylsulfanyl)propanoate

Base Information

• Chemical Name: tert-Butyl 2-(phenylsulfanyl)propanoate
• CAS No.: 89278-16-0
• Molecular Formula: C₁₃H₁₈O₂S
• Molecular Weight: 238.351
• DSSTox Substance ID: DTXSID50533055
• Mol file: 89278-16-0.mol

Synonyms:89278-16-0;tert-Butyl 2-(phenylsulfanyl)propanoate;SCHEMBL7356817;DTXSID50533055;AKOS014015289

Chemical Property of tert-Butyl 2-(phenylsulfanyl)propanoate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 238.10275099
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC(C)(C)C)SC1=CC=CC=C1

Technology Process of tert-Butyl 2-(phenylsulfanyl)propanoate

There total 1 articles about tert-Butyl 2-(phenylsulfanyl)propanoate 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:

tert-butyl 2-bromopropionate (39149-80-9,54631-38-8,98104-35-9,32821-07-1) + thiophenol (108-98-5) → 2-Phenylsulfanyl-propionic acid tert-butyl ester (89278-16-0)

Guidance literature:

With triethylamine; In diethyl ether; for 24h; Yield given; Heating;

DOI:10.1016/S0040-4039(00)85565-3

Reference yield: 44.0%

2-Phenylsulfanyl-propionic acid tert-butyl ester (89278-16-0) + nitrobenzene (98-95-3,26969-40-4) → 2-p-nitrophenyl-propionic acid tert-butyl ester (89278-22-8)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00183a004

Reference yield: 42.0%

3-Nitrochlorobenzene (121-73-3) + 2-Phenylsulfanyl-propionic acid tert-butyl ester (89278-16-0) → tert.-Butyl 2-(2-chloro-4-nitrophenyl)propionate (89278-23-9)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00183a004

upstream raw materials:

tert-butyl 2-bromopropionate

thiophenol

Downstream raw materials:

tert.-Butyl 2-(2-chloro-4-nitrophenyl)propionate

2-Chloro-2-phenylsulfanyl-propionic acid tert-butyl ester

2-p-nitrophenyl-propionic acid tert-butyl ester

2-Phenylsulfanyl-acrylic acid tert-butyl ester