1-Benzhydryl-1,2,4-triazole

Base Information

• Chemical Name: 1-Benzhydryl-1,2,4-triazole
• CAS No.: 102993-98-6
• Molecular Formula: C15H13N3
• Molecular Weight: 235.288
• DSSTox Substance ID: DTXSID50391793
• Nikkaji Number: J1.230.871J
• Wikidata: Q82189502
• ChEMBL ID: CHEMBL1825024
• Mol file: 102993-98-6.mol

Synonyms:1-benzhydryl-1,2,4-triazole;102993-98-6;1-Benzhydryl-1H-1,2,4-triazole;CHEMBL1825024;1H-1,2,4-Triazole,1-(diphenylmethyl)-;SCHEMBL13292485;DTXSID50391793;BDBM50351863;AKOS015909155;1-(diphenylmethyl)-1H-1,2,4-triazole;AC-14367;FT-0642511;InChI=1/C15H13N3/c1-3-7-13(8-4-1)15(18-12-16-11-17-18)14-9-5-2-6-10-14/h1-12,15

Chemical Property of 1-Benzhydryl-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 3.5E-07mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 417.6 °C at 760 mmHg
• Flash Point: 206.4 °C
• PSA: 30.71000
• Density: 1.12 g/cm³
• LogP: 2.91580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 235.110947427
• Heavy Atom Count: 18
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

1-BENZHYDRYL-1,2,4-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=NC=N3

Technology Process of 1-Benzhydryl-1,2,4-triazole

There total 5 articles about 1-Benzhydryl-1,2,4-triazole 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: 99.0%

1,2,4-Triazole (288-88-0) + 1,1-Diphenylmethanol (91-01-0) → 1-[di(phenyl)methyl]-1H-1,2,4-triazole (102993-98-6)

Guidance literature:

With aluminium(III) triflate; In nitromethane; at 80 ℃; for 2h; Microwave irradiation;

DOI:10.1002/adsc.201200536

Reference yield: 55.0%

1,2,4-Triazole (288-88-0) + diphenylchloromethane (90-99-3) → 1-[di(phenyl)methyl]-1H-1,2,4-triazole (102993-98-6)

Guidance literature:

With tetraethylammonium iodide; potassium carbonate; sodium hydroxide; In acetonitrile; for 24h; Reflux;

DOI:10.1002/ardp.201000357

Reference yield: 51.0%

1,2,4-Triazole (288-88-0) + Bromodiphenylmethane (776-74-9) → 1-[di(phenyl)methyl]-1H-1,2,4-triazole (102993-98-6)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -5 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.05.074

upstream raw materials:

1,2,4-Triazole

diphenylchloromethane

1,1-Diphenylmethanol

Bromodiphenylmethane

Refernces

• 1、 Ohshima, Takashi,Ipposhi, Junji,Nakahara, Yasuhito,Shibuya, Ryozo,Mashima, Kazushi. "Aluminum triflate as a powerful catalyst for direct amination of alcohols, including electron-withdrawing group-substituted benzhydrols". supporting information. p. 2447 - 2452. Retrieved 2012/11/07.
• 2、 Rezaei, Zahra,Khabnadideh, Soghra,Zomorodian, Kamiar,Pakshir, Kyvan,Kashi, Giti,Sanagoei, Narges,Gholami, Sanaz. "Design, synthesis and antifungal activity of some new imidazole and triazole derivatives". experimental part. p. 658 - 665. Retrieved 2012/06/29.