Phenyl 1,3-benzothiazol-2-ylcarbamate

Base Information

• Chemical Name: Phenyl 1,3-benzothiazol-2-ylcarbamate
• CAS No.: 28953-17-5
• Molecular Formula: C14H10 N2 O2 S
• Molecular Weight: 270.31
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL2297716
• DSSTox Substance ID: DTXSID50518165
• Wikidata: Q82380660
• Mol file: 28953-17-5.mol

Synonyms:phenyl 1,3-benzothiazol-2-ylcarbamate;28953-17-5;phenyl N-(1,3-benzothiazol-2-yl)carbamate;Phenyl N-(2-benzothiazolyl)carbamate;SCHEMBL1944598;CHEMBL2297716;DTXSID50518165;JRLUQGSODQQBFK-UHFFFAOYSA-N;AKOS008921207;CCG-319835;PHENYL1,3-BENZOTHIAZOL-2-YLCARBAMATE;EN300-26641;Carbamic acid, N-2-benzothiazolyl-, phenyl ester;Z30199979

Chemical Property of Phenyl 1,3-benzothiazol-2-ylcarbamate

Chemical Property:

• Refractive Index: 1.732
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.95000
• Density: 1.413g/cm³
• LogP: 3.92080
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 270.04629874
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

95% ^*data from raw suppliers

PHENYL 1,3-BENZOTHIAZOL-2-YLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)NC2=NC3=CC=CC=C3S2

Technology Process of Phenyl 1,3-benzothiazol-2-ylcarbamate

There total 4 articles about Phenyl 1,3-benzothiazol-2-ylcarbamate 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: 75.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + phenyl chloroformate (1885-14-9) → phenyl N-(benzothiazol-2-yl)carbamate (28953-17-5)

Guidance literature:

With pyridine; In dichloromethane; for 6h; Reflux;

DOI:10.1007/s00044-012-0434-y

Reference yield: 62.3%

→ phenyl N-(benzothiazol-2-yl)carbamate (28953-17-5)

Guidance literature:

With potassium carbonate; In dichloromethane; at 0 - 20 ℃; for 3.25h;

Reference yield:

monophenylthiourea (103-85-5) → phenyl N-(benzothiazol-2-yl)carbamate (28953-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / chloroform

2: pyridine / dichloromethane / 6 h / Reflux

With pyridine; bromine; In dichloromethane; chloroform;

DOI:10.1007/s00044-012-0434-y

upstream raw materials:

2-amino-benzthiazole

phenyl chloroformate

monophenylthiourea

aniline

Refernces

• 1、 Lei, Hongrui,Hu, Gang,Wang, Yu,Han, Pei,Liu, Zijian,Zhao, Yanfang,Gong, Ping. "Design, Synthesis, and Biological Evaluation of 4-Phenoxyquinoline Derivatives Containing Benzo[d]thiazole-2-yl Urea as c-Met Kinase Inhibitors". . p. 651 - 661. Retrieved 2016/08/27.
• 2、 -. "SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS". Page/Page column 38. . Retrieved 2010/10/03.