5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE

Base Information

• Chemical Name: 5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE
• CAS No.: 14677-11-3
• Molecular Formula: C9H6 N4
• Molecular Weight: 170.173
• Mol file: 14677-11-3.mol

Synonyms:1H-1,2,3-Triazole-4-carbonitrile,5-phenyl- (9CI); v-Triazole-4-carbonitrile, 5-phenyl- (7CI,8CI)

Chemical Property of 5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE

Chemical Property:

• PSA: 65.36000
• LogP: 1.34338

Purity/Quality:

5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE

There total 6 articles about 5-PHENYL-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE 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: 98.0%

(Z)-2-chloro-3-phenylacrylonitrile (62979-73-1) → 5-phenyl-1H-1,2,3-triazole-4-carbonitrile (14677-11-3)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 90 ℃; Inert atmosphere;

DOI:10.1039/c3ob42276c

Reference yield: 95.0%

(2E)-3-phenyl-2-nitroprop-2-enenitrile (38436-36-1,37630-63-0) → 4-phenyl-1H-1,2,3-triazole-5-carbonitrile (14677-11-3)

Guidance literature:

With trimethylsilylazide; Amberlite IRA₉₀₀F; at 30 ℃; for 3h; Reagent/catalyst; Solvent; Time; Reactivity; neat (no solvent);

DOI:10.1002/ejoc.200800142

Reference yield: 52.2%

3-Phenyl-2-propynonitrile (935-02-4) → 5-(4-phenyl-1,2,3-triazol-5-yl)tetrazole (89844-83-7) + 5-phenyl-1H-1,2,3-triazole-4-carbonitrile (14677-11-3)

Guidance literature:

With aluminium trichloride; sodium azide; In tetrahydrofuran; for 24h; Heating;

upstream raw materials:

(2E)-3-phenyl-2-nitroprop-2-enenitrile

nitroacetonitrile

benzaldehyde

3-Phenyl-2-propynonitrile

Refernces

• 1、 -. "Synthesis method of NH-1,2,3-triazole compound". Paragraph 0027. . Retrieved 2017/07/20.
• 2、 Fringuelli, Francesco,Lanari, Daniela,Pizzo, Ferdinando,Vaccaro, Luigi. "Amberlite IRA900F as a solid fluoride source for a variety of organic transformations under solvent-free conditions". experimental part. p. 3928 - 3932. Retrieved 2009/04/08.