2-Formamidobenzothiazole

Base Information

• Chemical Name: 2-Formamidobenzothiazole
• CAS No.: 3028-01-1
• Molecular Formula: C8H6 N2 O S
• Molecular Weight: 178.214
• European Community (EC) Number: 664-960-8
• Mol file: 3028-01-1.mol

Synonyms:SCHEMBL543954;2-FORMAMIDOBENZOTHIAZOLE;1,3-benzothiazol-2-ylformamide;BYYLVIMOFHNUDJ-UHFFFAOYSA-N;AKOS000280764

Chemical Property of 2-Formamidobenzothiazole

Chemical Property:

• PSA: 70.23000
• LogP: 2.57350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.02008399
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

N-2-benzothiazolyl-Formamide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)NC=O

Technology Process of 2-Formamidobenzothiazole

There total 2 articles about 2-Formamidobenzothiazole 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: 70.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + formyl acetic anhydride (2258-42-6) → N-1,3-benzothiazol-2-ylformamide (3028-01-1)

Guidance literature:

In diethyl ether; for 12h; Ambient temperature;

DOI:10.1002/hlca.19800630318

Reference yield: 42.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + formic acid (64-18-6) → N-1,3-benzothiazol-2-ylformamide (3028-01-1)

Guidance literature:

formic acid; With acetic anhydride; for 3h; Reflux;

2-amino-benzthiazole; for 22h;

DOI:10.1016/j.saa.2019.117595

Reference yield: 80.0%

N-1,3-benzothiazol-2-ylformamide (3028-01-1) + 2-benzyl-3-hydroxy-2,3-dihydro-isoindol-1-one (17448-14-5) → 3-(benzo[d]thiazol-2-ylamino)-2-benzylisoindolin-1-one

Guidance literature:

With copper(l) iodide; phenylboronic acid; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 24h;

DOI:10.1007/s12039-018-1474-8

upstream raw materials:

2-amino-benzthiazole

formyl acetic anhydride

formic acid

Refernces

• 1、 -. "AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS". Page/Page column 22-23. . Retrieved 2010/11/26.