[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol

Base Information

• Chemical Name: [4-(1H-Imidazol-1-ylmethyl)phenyl]methanol
• CAS No.: 103573-92-8
• Molecular Formula: C11H12 N2 O
• Molecular Weight: 188.229
• Hs Code.: 2933290090
• ChEMBL ID: CHEMBL590987
• DSSTox Substance ID: DTXSID80575387
• Nikkaji Number: J3.328.626K
• Pharos Ligand ID: QFZ8DTAN9Y1Y
• Wikidata: Q82464726
• Mol file: 103573-92-8.mol

Synonyms:103573-92-8;[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol;(4-((1H-imidazol-1-yl)methyl)phenyl)methanol;[4-(imidazol-1-ylmethyl)phenyl]methanol;{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol;CHEMBL590987;SCHEMBL10661787;DTXSID80575387;TQR0099;FSLVBXCLXDGFRE-UHFFFAOYSA-N;BDBM50307211;MFCD08271921;AKOS006344218;MS-22414;PD178052;4-((1H-imidazol-1-yl)methyl)phenylmethanol;W-204501;[4-(1H-imidazol-1-ylmethyl)phenyl]methanol, AldrichCPR

Chemical Property of [4-(1H-Imidazol-1-ylmethyl)phenyl]methanol

Chemical Property:

• Vapor Pressure: 3.86E-07mmHg at 25°C
• Melting Point: 65 °C
• Boiling Point: 400.7°Cat760mmHg
• Flash Point: 196.1°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: 167

Purity/Quality:

98%min ^*data from raw suppliers

{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO

Technology Process of [4-(1H-Imidazol-1-ylmethyl)phenyl]methanol

There total 5 articles about [4-(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: 96.0%

1H-imidazole (288-32-4) + 4-(hydroxymethyl)benzyl chloride (16473-35-1) → 4-((1H-imidazol-1-yl)methyl)phenylmethanol (103573-92-8)

Guidance literature:

1H-imidazole; With potassium hydroxide; In acetonitrile; at 20 ℃; for 1h;

4-(hydroxymethyl)benzyl chloride; In acetonitrile; at 90 ℃; for 16h;

Reference yield:

ethyl 4-((1H-imidazol-1-yl)methyl)benzoate (56643-80-2) → 4-((1H-imidazol-1-yl)methyl)phenylmethanol (103573-92-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -60 - 20 ℃; for 13h; Inert atmosphere;

Reference yield:

ethyl 4-chloromethylbenzoate (1201-90-7) → 4-((1H-imidazol-1-yl)methyl)phenylmethanol (103573-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 - 115 °C / Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 13 h / -60 - 20 °C / Inert atmosphere

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

upstream raw materials:

ethyl 4-((1H-imidazol-1-yl)methyl)benzoate

ethyl 4-chloromethylbenzoate

p-(chloromethyl)benzoic acid

1H-imidazole

Downstream raw materials:

4-((1H-imidazol-1-yl)methyl)benzaldehyde

Refernces

• 1、 -. "DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS". Page/Page column 34. . Retrieved 2019/01/16.
• 2、 -. "Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester". . . Retrieved 2008/06/13.