[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol

Base Information

• Chemical Name: [3-(1H-Imidazol-1-ylmethyl)phenyl]methanol
• CAS No.: 151055-79-7
• Molecular Formula: C11H12 N2 O
• Molecular Weight: 188.23
• European Community (EC) Number: 831-253-2
• DSSTox Substance ID: DTXSID60439216
• Pharos Ligand ID: YFANS4191S1B
• ChEMBL ID: CHEMBL597368
• Mol file: 151055-79-7.mol

Synonyms:151055-79-7;[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol;[3-(imidazol-1-ylmethyl)phenyl]methanol;{3-[(1h-imidazol-1-yl)methyl]phenyl}methanol;CHEMBL597368;(3-((1H-imidazol-1-yl)methyl)phenyl)methanol;D08WHC;SCHEMBL3092795;DTXSID60439216;BDBM50307217;MFCD08271918;AKOS006343964;MS-22294;PD178007;CS-0256659;FT-0703495;EN300-6505018;W-205714;Z1201624485

Chemical Property of [3-(1H-Imidazol-1-ylmethyl)phenyl]methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 398.7°Cat760mmHg
• PKA: 14.22±0.10(Predicted)
• Flash Point: 194.9°C
• PSA: 38.05000
• Density: 1.13g/cm³
• LogP: 1.42370
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

[3-(1H-imidazol-1-ylmethyl)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)CO)CN2C=CN=C2

Technology Process of [3-(1H-Imidazol-1-ylmethyl)phenyl]methanol

There total 4 articles about [3-(1H-Imidazol-1-ylmethyl)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: 80.0%

ethyl 3-<(1H-imidazol-1-yl)methyl>benzoate (143426-62-4) → 3-<(1H-imidazol-1-yl)methyl>benzyl alcohol (151055-79-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jm00072a017

Reference yield:

ethyl 3-methylbenzoate (120-33-2) → 3-<(1H-imidazol-1-yl)methyl>benzyl alcohol (151055-79-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS / CCl₄ / 3 h / Heating

2: dimethylformamide / 5 h / Ambient temperature

3: 80 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With N-Bromosuccinimide; lithium aluminium tetrahydride; In tetrahydrofuran; tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00072a017

Reference yield:

ethyl 3-bromomethylbenzoate (62290-17-9) → 3-<(1H-imidazol-1-yl)methyl>benzyl alcohol (151055-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 5 h / Ambient temperature

2: 80 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With lithium aluminium tetrahydride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm00072a017

upstream raw materials:

ethyl 3-<(1H-imidazol-1-yl)methyl>benzoate

ethyl 3-methylbenzoate

ethyl 3-bromomethylbenzoate

Downstream raw materials:

3-<(1H-imidazol-1-yl)methyl>benzaldehyde

Refernces

• 1、 Cozzi, Paolo,Carganico, Germano,Fusar, Domenico,Grossoni, Mauro,Menichincheri, Maria,et al.. "Imidazol-1-yl and Pyridin-3-yl Derivatives of 4-Phenyl-1,4-dihydropyridines Combining Ca2+ Antagonism and Thromboxane A2 Synthase Inhibition". . p. 2964 - 2972. Retrieved 2007/10/02.