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

Base Information

• Chemical Name: [4-(1H-Imidazol-1-yl)phenyl]methanol
• CAS No.: 86718-08-3
• Molecular Formula: C10H10 N2 O
• Molecular Weight: 174.202
• Hs Code.: 2933290090
• European Community (EC) Number: 817-176-7
• DSSTox Substance ID: DTXSID20380119
• Nikkaji Number: J2.698.375D
• Wikidata: Q72482402
• ChEMBL ID: CHEMBL1778129
• Mol file: 86718-08-3.mol

Synonyms:86718-08-3;[4-(1H-Imidazol-1-yl)phenyl]methanol;(4-Imidazol-1-yl-phenyl)methanol;[4-(1-imidazolyl)phenyl]methanol;(4-(1H-imidazol-1-yl)phenyl)methanol;(4-imidazol-1-ylphenyl)methanol;Benzenemethanol, 4-(1H-imidazol-1-yl)-;4-(1-imidazolyl)benzyl alcohol;(4-lmidazol-1-yl-phenyl)methanol;MFCD02682059;4-(1H-imidazol-1-yl)-benzenemethanol;1-(4-Hydroxymethylphenyl)imidazole;SCHEMBL857216;CHEMBL1778129;DTXSID20380119;SRQXVPAXMMIUFH-UHFFFAOYSA-N;4-(1H-imidazol-1yl)benzenemethanol;4-(1H-imidazol-1-yl)benzenemethanol;4-(1-IMIDAZOLYL)BENZYLALCOHOL;AKOS005070367;AC-2868;CS-W021105;SDCCGMLS-0066009.P001;SY003202;AM20061210;FT-0605420;1-(hydroxymethyl)-4-(1H-imidazol-1-yl)-benzene;3T-0318;A841814;[4-(1H-Imidazol-1-yl)phenyl]methanol, AldrichCPR;J-501307

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

Chemical Property:

• Vapor Pressure: 5.75E-06mmHg at 25°C
• Melting Point: 87-89 ºC
• Refractive Index: 1.604
• Boiling Point: 364.9°Cat760mmHg
• PKA: 14.07±0.10(Predicted)
• Flash Point: 174.5°C
• PSA: 38.05000
• Density: 1.16g/cm³
• LogP: 1.36460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-41
• Safety Statements: 36/37-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)N2C=CN=C2

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

There total 7 articles about [4-(1H-Imidazol-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: 100.0%

1-(4-formylphenyl)-1H-imidazole (10040-98-9) → 1-(Hydroxymethyl)-4-(1H-imidazol-1-yl)benzene (86718-08-3)

Guidance literature:

With zirconium dioxide hydrate; isopropyl alcohol; at 60 ℃; for 0.2h;

DOI:10.1021/ol400856g

Reference yield: 99.0%

1H-imidazole (288-32-4) + 4-bromobenzenemethanol (873-75-6) → 1-(Hydroxymethyl)-4-(1H-imidazol-1-yl)benzene (86718-08-3)

Guidance literature:

With copper(I) oxide; potassium phosphate; N¹,N²-bis(furan-2-ylmethyl)oxalamide; In dimethyl sulfoxide; at 120 ℃; for 24h;

DOI:10.1002/adsc.201700026

Reference yield: 60.0%

1H-imidazole (288-32-4) + 4-iodo-benzyl alcohol (18282-51-4) → 1-(Hydroxymethyl)-4-(1H-imidazol-1-yl)benzene (86718-08-3)

Guidance literature:

With potassium phosphate; copper(l) iodide; In N,N-dimethyl-formamide; at 35 - 40 ℃; for 40h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/jo802669b

upstream raw materials:

ethyl 4-(imidazol-1-yl)benzoate

4-fluorobenzoic acid ethyl ester

4-(1H-imidazol-1-yl)benzoic acid methyl ester

1H-imidazole

Downstream raw materials:

1-(4-(chloromethyl) phenyl)-1H-imidazole

1-[4-(chloro-methyl)phenyl]-1H-imidazole hydrochloride

3-(4-Imidazol-1-yl-phenyl)-propionic acid hydrazide

3-(4-Imidazol-1-yl-phenyl)-propionic acid ethyl ester

Refernces

• 1、 Battilocchio, Claudio,Hawkins, Joel M.,Ley, Steven V.. "A mild and efficient flow procedure for the transfer hydrogenation of ketones and aldehydes using hydrous zirconia". supporting information. p. 2278 - 2281. Retrieved 2013/06/05.
• 2、 Chen, Huaming,Wang, Deping,Wang, Xianyang,Huang, Wenlong,Cai, Qian,Ding, Ke. "Mild conditions for copper-catalyzed N-arylation of imidazoles". experimental part. p. 1505 - 1511. Retrieved 2010/09/14.