2-(N-BOC-Amino)thioanisole

Base Information

• Chemical Name: 2-(N-BOC-Amino)thioanisole
• CAS No.: 144303-96-8
• Molecular Formula: C12H17NO2S
• Molecular Weight: 239.338
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70437561
• Nikkaji Number: J1.899.594H
• Wikidata: Q82253083
• Mol file: 144303-96-8.mol

Synonyms:144303-96-8;2-(N-BOC-Amino)thioanisole;tert-Butyl (2-(methylthio)phenyl)carbamate;Tert-butyl N-(2-methylsulfanylphenyl)carbamate;tert-Butyl(2-(methylthio)phenyl)carbamate;SCHEMBL19519029;DTXSID70437561;MFCD21170415;AKOS014475978;SB76949;BS-21476;N-(tert-Butyloxycarbonyl)-2-(methylthio)aniline;N-(2-methylsulfanyl-phenyl)-carbamic acid tert-butyl ester

Chemical Property of 2-(N-BOC-Amino)thioanisole

Chemical Property:

• PSA: 67.12000
• LogP: 3.76910
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 239.09799996
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-(Methylthio)phenyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1SC

Technology Process of 2-(N-BOC-Amino)thioanisole

There total 3 articles about 2-(N-BOC-Amino)thioanisole 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: 67.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(Methylthio)aniline (2987-53-3) → <2-(methylthio)phenyl>carbamic acid 1,1-dimethylethyl ester (144303-96-8)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 15h;

DOI:10.1016/S0040-4020(03)00347-8

Reference yield: 44.0%

tert-butyl 2-(methylthio)phenyl(3-perfluorooctylpropoxy)carbamate (1239374-15-2) → <2-(methylthio)phenyl>carbamic acid 1,1-dimethylethyl ester (144303-96-8)

Guidance literature:

With methanol; tris(propionitrile)tricarbonylmolybdenum⁽⁰⁾; at 130 ℃; for 0.25h; chemoselective reaction; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201000367

Reference yield:

tert-butyl phenylcarbamate (3422-01-3) + Dimethyldisulphide (624-92-0) → <2-(methylthio)phenyl>carbamic acid 1,1-dimethylethyl ester (144303-96-8)

Guidance literature:

With tert.-butyl lithium; Rate constant; Product distribution; multistep reaction: directed ortho-lithiation;

DOI:10.1021/jo00051a030

upstream raw materials:

tert-butyl phenylcarbamate

Dimethyldisulphide

di-tert-butyl dicarbonate

2-(Methylthio)aniline

Downstream raw materials:

2-({2-[(tert-butoxycarbonyl)amino]phenyl}thio)acetic acid

tert-butyl 4-methoxybenzoyl[2-(methylthio)phenyl]carbamate

tert-butyl benzoyl[2-(methylthio)phenyl]carbamate

tert-butyl 4-fluorobenzoyl[2-(methylthio)phenyl]carbamate