(2-Phenyl-1H-imidazol-4-yl)methanol

Base Information

• Chemical Name: (2-Phenyl-1H-imidazol-4-yl)methanol
• CAS No.: 43002-54-6
• Molecular Formula: C10H10 N2 O
• Molecular Weight: 174.202
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40435236
• Wikidata: Q82250025
• Mol file: 43002-54-6.mol

Synonyms:(2-Phenyl-1H-imidazol-4-yl)methanol;43002-54-6;(2-PHENYL-1H-IMIDAZOL-5-YL)METHANOL;4-(Hydroxymethyl)-2-phenyl-1H-imidazole;MFCD06202903;1H-Imidazole-4-methanol, 2-phenyl-;2-phenyl-4-imidazolemethanol;1H-Imidazole-5-methanol,2-phenyl-;SCHEMBL672597;2-phenyl-4-hydroxymethylimidazole;2-phenyl-5-hydroxymethylimidazole;DTXSID40435236;GGRBEFVMJHQWFG-UHFFFAOYSA-N;BCP32460;AKOS005072056;AKOS016346880;5-hydroxymethyl-2-phenyl-1H-imidazole;AB56102;CB-0713;SY081601;CS-0452450;FT-0680889;EN300-54948;(2-phenyl-1H-imidazol-4-yl)methanol, AldrichCPR;A872777;J-500895;Z1575082106

Chemical Property of (2-Phenyl-1H-imidazol-4-yl)methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 144-146oC
• Boiling Point: 438.665oC at 760 mmHg
• PKA: 12.41±0.10(Predicted)
• Flash Point: 219.097oC
• PSA: 48.91000
• Density: 1.244g/cm3
• LogP: 1.56900
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Hydroxymethyl)-2-phenyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(N2)CO

Technology Process of (2-Phenyl-1H-imidazol-4-yl)methanol

There total 8 articles about (2-Phenyl-1H-imidazol-4-yl)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: 77.0%

1,3-dihydroxyacetone dimer (62147-49-3) + benzamidine monohydrochloride (1670-14-0) → (2-phenyl-1H-imidazol-4-yl)-methanol (43002-54-6)

Guidance literature:

With ammonium chloride; In ammonium hydroxide; at 80 ℃; for 0.5h;

DOI:10.1021/jm070447j

Reference yield: 43.0%

→ 5-hydroxymethyl-2-phenyl-1H-imidazole (43002-54-6)

Guidance literature:

With ammonium chloride; at 80 ℃; for 1h;

Reference yield: 29.7%

dihydroxyacetone (96-26-4,26776-70-5) + benzaldehyde (100-52-7) → (2-phenyl-1H-imidazol-4-yl)-methanol (43002-54-6)

Guidance literature:

With ammonia; copper(II) acetate monohydrate; In methanol; water; for 2h; Reflux;

DOI:10.3390/molecules25173770

upstream raw materials:

ethyl 2-amino-3-hydroxypropanoate

1,3-dihydroxyacetone dimer

benzamidine monohydrochloride

1,4-dioxane

Downstream raw materials:

2-phenyl-1H-imidazole-4(5)-carboxaldehyde

(1-Benzyl-2-phenyl-1H-imidazol-4-yl)-methanol

(1-methyl-2-phenyl-1H-imidazol-4-yl)methanol

5-chloromethyl-2-phenyl-1H-imidazole

Refernces

• 1、 Burdzhiev, Nikola,Ahmedova, Anife,Borrisov, Boris,Graf, Robert. "13C CPMAS NMR as a tool for full structural description of 2-phenyl substituted imidazoles that overcomes the effects of fast tautomerization". . . Retrieved 2020.
• 2、 -. "PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF". Page/Page column 168. . Retrieved 2010/08/04.