14832-56-5

Basic information

• Product Name: 1-(3-chlorophenyl)-1H-tetrazol-5-amine
• CAS NO: 14832-56-5
• Molecular Formula: C₇H₆ClN₅
• Molecular Weight: 195.609
• Mol File: 14832-56-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 409.7°C at 760 mmHg
• Flash Point: 201.6°C
• Density: 1.64g/cm³
• Vapor Pressure: 6.36E-07mmHg at 25°C
• Refractive Index: 1.765
• CAS DataBase Reference: 1-(3-chlorophenyl)-1H-tetrazol-5-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-chlorophenyl)-1H-tetrazol-5-amine(14832-56-5)
• EPA Substance Registry System: 1-(3-chlorophenyl)-1H-tetrazol-5-amine(14832-56-5)

Safety Data

• Hazardous Substances Data: 14832-56-5(Hazardous Substances Data)

Usage

General Description

1-(3-chlorophenyl)-1H-tetrazol-5-amine is a chemical compound with the molecular formula C7H6ClN5. It is an organic compound consisting of a tetrazole ring and a 3-chlorophenyl group. 1-(3-chlorophenyl)-1H-tetrazol-5-amine has potential applications in the field of medicinal chemistry, as tetrazole derivatives are known for their diverse pharmacological activities, including antimicrobial, antiviral, and antitumor properties. The presence of the chlorophenyl group in the molecule may also impart specific biological activities or enhance the compound's pharmacokinetic properties. 1-(3-chlorophenyl)-1H-tetrazol-5-amine may serve as a valuable scaffold for the development of new pharmaceutical agents.

Upstream product

• 14832-64-5 (3-chloro-phenyl)-(1H-tetrazol-5-yl)-amine 
• 107-21-1 ethylene glycol 
• 54507-99-2 N-(3-chlorophenyl)cyanamide 
• 2392-68-9 3-chlorophenyl-isothiocyanate 
• 4947-89-1 1-(3-chlorophenyl)-2-thiourea 

Downstream Products

• 14832-64-5 (3-chloro-phenyl)-(1H-tetrazol-5-yl)-amine 

Relevant articles and documents

Eco-efficient one-pot tandem synthesis of 1-aryl-1H-tetrazol-5-amine by CAN via in situ generated 1-phenylthiourea and heterocumulene

A simple, cost-effective, environmentally benign, and efficient one-pot tandem approach to the synthesis of pharmaceutically important 1-aryl-1H-tetrazole-5-amines 3a-k and 4a-k has been described. The reaction utilized 1-phenyl thiourea, which was generated in situ from aqueous ammonia and isocyanates 1a-k, for the formation of heterocumenes using sodium azide, triethylamine, and ceric ammonium nitrate (CAN) to obtain various aryl-substituted 1H-tetrazole-5-amines (3a-k) in good to excellent yields.

Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine

A one-pot, tandem process has been developed for the synthesis of a library of tetrazoles from aryl isothiocyanates. Condensation of aryl isothiocyanates with ammonia, and aryl amines (R-NH2) provided mono, 1,3-disubstituted symmetrical and unsymmetrical thioureas, which on desulfurization with molecular iodine (I2) led to formation of the corresponding heterocumulene (cyanamides or carbodiimides). The in situ generated heterocumulene on subsequent treatment with sodium azide at room temperature gave corresponding tetrazoles. The product regioselectivity for unsymmetrical 1,3-disubstituted thioureas was found to be correlated with the basicities (pKa's) of the parent amines attached to the thiourea. Aryl-sec-alkyl unsymmetrical thioureas gave thioamido guanidino products rather than the 5-aminotetrazoles produced by HgCl2 mediation of the reaction. Bis-thioureas derived from aryl isothiocyanates and hydrazine gave thiadiazoles exclusively.