100958-73-4

Basic information

• Product Name: Benzothiazole, 2,7-diamino- (6CI)
• Synonyms: Benzothiazole, 2,7-diamino- (6CI);2,7-Benzothiazolediamine;2,7-Diaminobenzothiazole;Benzo[d]thiazole-2,7-diaMine
• CAS NO: 100958-73-4
• Molecular Formula: C₇H₇N₃S
• Molecular Weight: 165.21558
• Product Categories: BENZOTHIAZOLE
• Mol File: 100958-73-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 404.4 °C at 760 mmHg
• Flash Point: 198.4 °C
• Appearance: /
• Density: 1.490
• Storage Temp.: 2-8°C
• PKA: 5.66±0.30(Predicted)
• CAS DataBase Reference: Benzothiazole, 2,7-diamino- (6CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2,7-diamino- (6CI)(100958-73-4)
• EPA Substance Registry System: Benzothiazole, 2,7-diamino- (6CI)(100958-73-4)

Safety Data

• Hazardous Substances Data: 100958-73-4(Hazardous Substances Data)

Usage

General Description

Benzothiazole, 2,7-diamino- (6CI) is a chemical compound with the molecular formula C7H6N4S. It is also known by its CAS number 593-75-9. Benzothiazole, 2,7-diamino- (6CI) is a heterocyclic organic compound containing a benzene ring fused to a thiazole ring, and two amino groups at positions 2 and 7. Benzothiazole, 2,7-diamino- is commonly used as an intermediate in the production of various chemicals and pharmaceuticals. It is also used as a building block in the synthesis of dyes, pigments, and other organic compounds. Additionally, it has applications in the rubber industry as an accelerator for vulcanization and in the production of agricultural chemicals. Benzothiazole, 2,7-diamino- may have potential uses in medical research and drug development due to its unique properties and chemical structure.

Synthetic route

2-amino-6-nitrobenzothiazole (6285-57-0) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Conditions	Yield
With iron; acetic acid In ethanol for 3h; Inert atmosphere; Reflux;	66%

7-nitrobenzo[d]thiazol-2-amine (89793-81-7) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Conditions	Yield
With hydrogenchloride; tin(ll) chloride

3-nitrophenylthiourea (709-72-8) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Conditions	Yield
Multi-step reaction with 2 steps 1: bromine; chlorobenzene 2: SnCl2; aqueous HCl View Scheme

3-nitroaniline hydrochloride (33240-96-9) → benzo[d]thiazole-2,7-diamine (100958-73-4)

Conditions	Yield
Multi-step reaction with 3 steps 1: chlorobenzene 2: bromine; chlorobenzene 3: SnCl2; aqueous HCl View Scheme

benzo[d]thiazole-2,7-diamine (100958-73-4) + phenyl isothiocyanate (103-72-0) → 1-(2-aminobenzo[d]thiazol-7-yl)-3-phenylthiourea

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 50℃; for 3h; Inert atmosphere;	65%

Upstream product

• 89793-81-7 7-nitrobenzo[d]thiazol-2-amine 
• 33240-96-9 3-nitroaniline hydrochloride 
• 6285-57-0 2-amino-6-nitrobenzothiazole 
• 709-72-8 3-nitrophenylthiourea 

Relevant articles and documents

ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-1" PATHWAY AND METHODS OF USE THEREOF

The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.