1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-

Base Information

• Chemical Name: 1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-
• CAS No.: 51808-10-7
• Molecular Formula: C10H11N3O2
• Molecular Weight: 205.2132
• NSC Number: 79538
• DSSTox Substance ID: DTXSID70199758
• Nikkaji Number: J316.038F
• Wikidata: Q83072720
• ChEMBL ID: CHEMBL1538702
• Mol file: 51808-10-7.mol

Synonyms:1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-;51808-10-7;NSC79538;NSC 79538;MLS000736864;ChemDiv2_002641;NCIOpen2_004528;CHEMBL1538702;DTXSID70199758;HMS1376I01;NSC-79538;STK680221;AKOS005596289;NCGC00246879-01;SMR000528355;SR-01000118325;(1-phenyl-1H-1,2,3-triazole-4,5-diyl)dimethanol;[5-(hydroxymethyl)-1-phenyl-triazol-4-yl]methanol;SR-01000118325-1

Chemical Property of 1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Boiling Point: 460.2°Cat760mmHg
• Flash Point: 232.1°C
• Density: 1.35g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.085126602
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(N=N2)CO)CO

Technology Process of 1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-

There total 5 articles about 1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl- 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: 70.0%

1-phenyl-1H-[1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester (17304-69-7) → 1-phenyl-4,5-bis(hydroxymethyl)-1,2,3-triazole (51808-10-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 12h;

DOI:10.1016/S0040-4039(00)60120-X

Reference yield: 65.0%

1,4-dihydroxybut-2-yne (110-65-6) + Phenyl azide (622-37-7) → 1-phenyl-4,5-bis(hydroxymethyl)-1,2,3-triazole (51808-10-7)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 120 ℃; for 3h;

DOI:10.1070/MC2002v012n03ABEH001590

Reference yield:

Phenyl azide (622-37-7) → 1-phenyl-4,5-bis(hydroxymethyl)-1,2,3-triazole (51808-10-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 66 h / Heating

2: 54 percent / LiAlH₄ / diethyl ether / 9 h / Heating

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00378a006

upstream raw materials:

1,4-dihydroxybut-2-yne

Phenyl azide

1-phenyl-1H-[1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester

Downstream raw materials:

4,5-dihydro-4,5-dimethylene-1-phenyl-1,2,3-triazole

1-Phenyl-4,7-dihydro-1H-[1,2,3]triazolo[4,5-d]pyridazine-5,6-dicarboxylic acid diethyl ester

6-Methyl-1-phenyl-4,4a,7a,8-tetrahydro-1H-pyrrolo[3',4':4,5]benzo[1,2-d][1,2,3]triazole-5,7-dione

4,5-bis(bromomethyl)-1-phenyl-1,2,3-triazole