(1H-benzo[d][1,2,3]triazol-5-yl)methanol

Base Information

• Chemical Name: (1H-benzo[d][1,2,3]triazol-5-yl)methanol
• CAS No.: 106429-67-8
• Molecular Formula: C7H7 N3 O
• Molecular Weight: 149.14998
• European Community (EC) Number: 832-107-0
• DSSTox Substance ID: DTXSID90423401
• Wikidata: Q82235612
• Mol file: 106429-67-8.mol

Synonyms:106429-67-8;(1H-benzo[d][1,2,3]triazol-5-yl)methanol;2H-benzotriazol-5-ylmethanol;(2H-Benzotriazol-5-yl)methanol;1H-1,2,3-benzotriazol-5-ylmethanol;SCHEMBL1692572;SCHEMBL10640127;DTXSID90423401;UWJOSAIHEQFOID-UHFFFAOYSA-N;MFCD00963121;AKOS006237421;AB07810;(1H-1,2,3-benzotriazol-5-yl)methanol;(2H-1,2,3-benzotriazol-5-yl)methanol;FT-0642619;EN300-70284;C90361;Z1079176314

Chemical Property of (1H-benzo[d][1,2,3]triazol-5-yl)methanol

Chemical Property:

• Vapor Pressure: 9.62E-07mmHg at 25°C
• Refractive Index: 1.739
• Boiling Point: 388.9°C at 760 mmHg
• PKA: 8.38±0.40(Predicted)
• Flash Point: 189°C
• Density: 1.46g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 149.058911855
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

1H-1,2,3-benzotriazol-5-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NNN=C2C=C1CO

Technology Process of (1H-benzo[d][1,2,3]triazol-5-yl)methanol

There total 9 articles about (1H-benzo[d][1,2,3]triazol-5-yl)methanol 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: 95.0%

1H-benzotriazole-5-carboxylic acid ethyl ester (73605-91-1) → (1H-benzo[d][1,2,3]triazol-5-yl)methanol (106429-67-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1080/00397919308009862

Reference yield: 81.0%

1H-Benzotriazole-5-carboxylic acid methyl ester (113053-50-2) → (1H-benzo[d][1,2,3]triazol-5-yl)methanol (106429-67-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 4h;

Reference yield: 16.0%

1h-benzotriazole-5-carboxylic acid (23814-12-2) → (1H-benzo[d][1,2,3]triazol-5-yl)methanol (106429-67-8)

Guidance literature:

1h-benzotriazole-5-carboxylic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 70 ℃; Inert atmosphere;

With water; sodium sulfate; In tetrahydrofuran; at 0 - 20 ℃;

upstream raw materials:

1H-benzotriazole-5-carboxylic acid ethyl ester

1h-benzotriazole-5-carboxylic acid

1H-Benzotriazole-5-carboxylic acid methyl ester

C₈H₇N₃O₂

Downstream raw materials:

1H-1,2,3-benzotriazole-5-carbaldehyde