Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-

Base Information

• Chemical Name: Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
• CAS No.: 96549-95-0
• Molecular Formula: C₁₄H₁₃N₃O₂
• Molecular Weight: 255.276
• Hs Code.: 2933990090
• European Community (EC) Number: 858-433-3
• DSSTox Substance ID: DTXSID5072981
• Nikkaji Number: J667.489E
• Wikidata: Q72484389
• ChEMBL ID: CHEMBL1390015
• Mol file: 96549-95-0.mol

Synonyms:96549-95-0;Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-;2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2-hydroxyethyl)phenol;2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol;2-(2H-1,2,3-benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol;SCHEMBL77763;MLS001174459;CHEMBL1390015;DTXSID5072981;HMS2893J03;JF-269;AKOS000121481;NCGC00246097-01;SMR000596135;EN300-16486;A930008;2-(2H-benzotriazole-2-yl)-4-(2-hydroxyethyl)phenol;Z55928958;2-(2'-Hydroxy-5'-hydroxyethylphenyl)-2H-benzotriazole

Chemical Property of Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-

Chemical Property:

• Vapor Pressure: 7.41E-11mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 500.976 °C at 760 mmHg
• Flash Point: 256.781 °C
• PSA: 71.17000
• Density: 1.363 g/cm³
• LogP: 1.66090
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.100776666
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2-hydroxyethyl)phenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O

Technology Process of Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-

There total 2 articles about Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy- 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%

→ 2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2-hydroxyethyl)phenol (96549-95-0)

Guidance literature:

Reference yield:

2-(2’-hydroxy-5-methacrylyloxyethylphenyl)-2H-benzotriazole → 2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2-hydroxyethyl)phenol (96549-95-0)

Guidance literature:

With water; sodium hydroxide; at 20 ℃; for 20h;

Reference yield:

2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2-hydroxyethyl)phenol (96549-95-0) → N-(3-(2H-benzo[d][1,2,3]triazol-2-yl)-4-hydroxyphenethyl)-2,2-dimethoxy-Ν,Ν-dimethylethanaminium chloride

Guidance literature:

Multi-step reaction with 2 steps

1: triphenylphosphine; trichloroacetonitrile / dichloromethane; chloroform / 1.5 h / 20 °C

2: N,N-dimethyl-formamide / 15 h / 110 °C

With trichloroacetonitrile; triphenylphosphine; In dichloromethane; chloroform; N,N-dimethyl-formamide;

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