[3-(1H-pyrazol-1-yl)phenyl]methanol

Base Information

• Chemical Name: [3-(1H-pyrazol-1-yl)phenyl]methanol
• CAS No.: 864068-80-4
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.2
• Hs Code.: 2933199090
• European Community (EC) Number: 640-884-0
• DSSTox Substance ID: DTXSID90428178
• Nikkaji Number: J2.758.772K
• Wikidata: Q82240977
• Mol file: 864068-80-4.mol

Synonyms:[3-(1H-pyrazol-1-yl)phenyl]methanol;864068-80-4;(3-(1h-pyrazol-1-yl)phenyl)methanol;3-(1-Pyrazolyl)benzyl Alcohol;(3-pyrazol-1-ylphenyl)methanol;(3-Pyrazol-1-yl-phenyl)-methanol;MFCD06740322;(3-(1-pyrazolyl)phenyl)methanol;AMY4588;DTXSID90428178;AC7006;STK506243;3-(1H-Pyrazole-1-yl)benzyl alcohol;AKOS003237619;SY028686;TS-02403;BB 0253793;CS-0207407;FT-0679659;EC-000.1855;BENZENEMETHANOL,3-(1H-PYRAZOL-1-YL)-;EN300-105327;A863209;J-501068;Z1201623766

Chemical Property of [3-(1H-pyrazol-1-yl)phenyl]methanol

Chemical Property:

• Vapor Pressure: 3.71E-05mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 338.9 °C at 760 mmHg
• PKA: 14.19±0.10(Predicted)
• Flash Point: 158.7 °C
• PSA: 38.05000
• Density: 1.16g/cm³
• LogP: 1.36460
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

[3-(1H-Pyrazol-1-yl)phenyl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [3-(1H-pyrazol-1-yl)phenyl]methanol

There total 2 articles about [3-(1H-pyrazol-1-yl)phenyl]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: 85.0%

NH-pyrazole (288-13-1) + 3-iodobenzylalcohol (57455-06-8) → (3-(1H-pyrazol-1-yl)phenyl)methanol (864068-80-4)

Guidance literature:

With potassium phosphate monohydrate; iron(III) chloride hexahydrate; trans-N,N'-dimethylcyclohexane-1,2-diamine; In water; at 135 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.08.018

Reference yield: 78.6%

NH-pyrazole (288-13-1) + (3-Bromophenyl)methanol (15852-73-0) → (3-(1H-pyrazol-1-yl)phenyl)methanol (864068-80-4)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; copper(l) iodide; potassium carbonate; at 210 ℃; for 5h; Microwave irradiation;

DOI:10.1021/acs.organomet.5b00355

Reference yield: 68.5%

(3-(1H-pyrazol-1-yl)phenyl)methanol (864068-80-4) → 1-(3-(bromomethyl)phenyl)-1H-pyrazole

Guidance literature:

With ethyl tribromoacetate; triphenylphosphine; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.organomet.5b00355

upstream raw materials:

NH-pyrazole

3-iodobenzylalcohol

(3-Bromophenyl)methanol

Refernces

• 1、 Lee, Hang Wai,Chan, Albert S.C.,Kwong, Fuk Yee. "Iron complex-catalyzed N-arylation of pyrazoles under aqueous medium". experimental part. p. 5868 - 5871. Retrieved 2010/01/11.