Methyl 1,3-benzothiazol-2-yl(methyl)carbamate

Base Information

Chemical Name:Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
CAS No.:5021-59-0
Molecular Formula:C10H10N2O2S
Molecular Weight:249.672
Hs Code.:2924299090
DSSTox Substance ID:DTXSID30349570
Wikidata:Q82124931
ChEMBL ID:CHEMBL1330392
Mol file:5021-59-0.mol

Synonyms:5021-59-0;Methyl 1,3-benzothiazol-2-yl(methyl)carbamate;methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate;MLS000068672;Benzothiazol-2-yl-methyl-carbamic acid methyl ester;BAS 00462407;CHEMBL1330392;DTXSID30349570;HMS2175O03;AKOS027410100;SMR000008959;SR-01000313860;SR-01000313860-1

Suppliers and Price of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate

Chemical Property:

Vapor Pressure:0.000435mmHg at 25°C
Boiling Point:315.5°C at 760 mmHg
PKA:12.12±0.70(Predicted)
Flash Point:144.6°C
PSA：70.67000
Density:1.353g/cm³
LogP:2.49890
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:222.04629874
Heavy Atom Count:15
Complexity:250

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1=NC2=CC=CC=C2S1)C(=O)OC

Technology Process of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate

There total 5 articles about Methyl 1,3-benzothiazol-2-yl(methyl)carbamate 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: 98.0%

: 122-01-0
4-chloro-benzoyl chloride

: 371-40-4
4-fluoroaniline

: 5021-59-0
4-chloro-N-(4-fluorophenyl)-benzamide

Guidance literature:: With pyridine; for 24h; Ambient temperature;

Reference yield: 55.0%

: 201230-82-2
carbon monoxide

: 1679-18-1
4-Chlorophenylboronic acid

: 371-14-2
4-fluorophenylhydrazine

: 5021-59-0
4-chloro-N-(4-fluorophenyl)-benzamide

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; copper(l) chloride; In toluene; at 120 ℃; for 24h; under 22502.3 Torr;

Reference yield: 55.0%

: 201230-82-2
carbon monoxide

: 1679-18-1
4-Chlorophenylboronic acid

: 371-40-4
4-fluoroaniline

: 5021-59-0
4-chloro-N-(4-fluorophenyl)-benzamide

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; at 100 ℃; for 24h; Schlenk technique;
DOI:10.1002/ejoc.201701802