6278-74-6

Basic information

• Product Name: 2-(heptan-3-yl)-1,3-benzothiazole
• CAS NO: 6278-74-6
• Molecular Formula: C₁₄H₁₉NS
• Molecular Weight: 233.3724
• Mol File: 6278-74-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 323°C at 760 mmHg
• Flash Point: 140.5°C
• Density: 1.049g/cm³
• Vapor Pressure: 0.000509mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 2-(heptan-3-yl)-1,3-benzothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(heptan-3-yl)-1,3-benzothiazole(6278-74-6)
• EPA Substance Registry System: 2-(heptan-3-yl)-1,3-benzothiazole(6278-74-6)

Safety Data

• Hazardous Substances Data: 6278-74-6(Hazardous Substances Data)

Usage

Heptyl group

A seven-carbon heptyl (C7H15) group attached to the 2-position of the benzothiazole ring.

Benzothiazole derivative

A compound known for its diverse biological activities and used in the synthesis of pharmaceuticals, agrochemicals, and materials.

Substitution

The presence of the heptyl group may confer specific properties, making the compound potentially useful in various applications.

Potential uses

The compound's synthesis and further study may reveal its potential uses in drug development, materials science, or other fields.

Upstream product

• 615-22-5 2-methylmercaptobenzothiazole 
• 1415919-14-0 C₇H₁₅ClMg 
• 123-05-7 d,l-2-ethylhexanal 
• 137-07-5 2-amino-benzenethiol 
• 95-16-9 1,3-Benzothiazole 
• 3006-82-4 tertiary butyl per-2-ethylhexanoate 
• 149-57-5 2-Ethylhexanoic acid 

Relevant articles and documents

Iron-catalyzed C-H alkylation of heterocyclic C-H bonds

An efficient, iron-catalyzed C-H alkylation of benzothiazoles by using alkyl diacyl peroxides and alkyl tertbutyl peresters which are readily accessible from carboxylic acids to synthesize 2-alkylbenzothiazoles is developed. This reaction is environmentally benign and compatible with a broad range of functional groups. Various primary, secondary, and tertiary alkyl groups can be efficiently incorporated into diverse benzothiazoles. The effectiveness of this method is illustrated by late-stage functionalization of biologically active heterocycles.

Nickel-catalyzed coupling of thiomethyl-substituted 1,3-benzothiazoles with secondary alkyl Grignard reagents

Synthetic methods: The Ni-catalyzed alkylation of 2-(methylthio) benzothiazoles through C-S bond cleavage is reported. Reactions with various secondary alkyl nucleophiles proceeded efficiently in the presence of 1,3-butadiene as an additive. This reaction was proposed to proceed by σ-bond metathesis between the thioether and a bis(π-allyl)nickel complex or by an addition/elimination mechanism involving the C=34;N double bond of the benzothiazoles (see scheme). Copyright