N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

Base Information

Chemical Name:N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide
CAS No.:5583-23-3
Molecular Formula:C13H13 N O
Molecular Weight:199.252
Hs Code.:
DSSTox Substance ID:DTXSID70971233
Wikidata:Q82954673
ChEMBL ID:CHEMBL1534664

Synonyms:N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide;N-Benzothiazol-2-yl-2-chloro-6-fluoro-benzamide;5583-23-3;Oprea1_212301;Oprea1_328999;MLS001208000;CHEMBL1534664;DTXSID70971233;HMS2849I16;STK017397;STK635192;AKOS000605626;AKOS005567038;SMR000515722;AG-690/12868999;SR-01000493648;SR-01000493648-1;N-(benzo[d]thiazol-2-yl)-2-chloro-6-fluorobenzamide;F0537-1344;N-(1,3-Benzothiazol-2-yl)-2-chloro-6-fluorobenzene-1-carboximidic acid;N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-chloro-6-fluorobenzamide

Suppliers and Price of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

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 1 raw suppliers

Chemical Property of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.523g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:306.0029899
Heavy Atom Count:20
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC=C3Cl)F

Technology Process of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

There total 7 articles about N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide 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: 99.0%

: 5315-25-3
2-bromo-6-methylpyridine

: 100-52-7
benzaldehyde

: 5583-23-3
2-(α-hydroxybenzyl)-6-methylpyridine

Guidance literature:: 2-bromo-6-methylpyridine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

benzaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h; Inert atmosphere;
DOI:10.1039/d1dt02929k

Reference yield: 95.0%

: 1122-72-1
6-methyl-2-pyridinecarboxaldehyde

: 100-58-3
phenylmagnesium bromide

: 5583-23-3
2-(α-hydroxybenzyl)-6-methylpyridine

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 0.666667h;
DOI:10.1021/acs.joc.7b00346

Reference yield:

: 626-05-1
2,6-Dibromopyridine

: 5583-23-3
2-(α-hydroxybenzyl)-6-methylpyridine

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0 h / 0 °C

1.2: 0 h / 0 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 0 h / -28 °C

2.2: -28 °C

With n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1039/c0gc00852d