Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride

Base Information

• Chemical Name: Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride
• CAS No.: 112809-26-4
• Molecular Formula: C10H8N4.ClH
• Molecular Weight: 220.661
• Mol file: 112809-26-4.mol

Synonyms:

Chemical Property of Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride

Chemical Property:

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride

There total 3 articles about Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride 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: 80.8%

1,2,4-Triazole (288-88-0) + 4-cyanobenzyl bromide (17201-43-3) → 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride (112809-26-4)

Guidance literature:

1,2,4-Triazole; 4-cyanobenzyl bromide; With potassium carbonate; In toluene; at 25 - 110 ℃;

With hydrogenchloride; In ethyl acetate; isopropyl alcohol; at 0 - 5 ℃; pH=0 - 2;

Reference yield: 71.4%

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile (112809-25-3) → 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride (112809-26-4)

Guidance literature:

With hydrogenchloride; In water; acetone; for 1h;

Reference yield:

4-[(1-(1,3,4-triazolyl)-methyl)]benzonitrile (112809-27-5) + 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile (112809-25-3) → 4-[1-(1,3,4-triazolyl)methyl]benzonitrile hydrochloride (112809-28-6) + 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride (112809-26-4)

Guidance literature:

With hydrogenchloride; In dichloromethane; di-isopropyl ether; isopropyl alcohol; for 0.333333h; Product distribution / selectivity;

upstream raw materials:

4-[(1-(1,3,4-triazolyl)-methyl)]benzonitrile

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile

1,2,4-Triazole

4-cyanobenzyl bromide

Downstream raw materials:

letrozol

4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES". Page/Page column 39-41. . Retrieved 2009/07/03.
• 2、 -. "A METHOD FOR THE SEPARATION OF THE LETROZOLE PRECURSOR 4-‘1-(1,2,4-TRIAZOLYL) METHYL!BENZONITRILE FROM ITS 1,3,4-TRIAZOLYL ISOMER". Page/Page column 7-8. . Retrieved 2008/06/13.