1H-imidazol-1-ylmethanol

Base Information

• Chemical Name: 1H-imidazol-1-ylmethanol
• CAS No.: 51505-76-1
• Molecular Formula: C4H6N2O
• Molecular Weight: 98.1044
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID50394320
• Nikkaji Number: J2.468.128I
• Wikidata: Q72485278
• Mol file: 51505-76-1.mol

Synonyms:1H-imidazol-1-ylmethanol;51505-76-1;(1H-Imidazol-1-yl)methanol;Imidazol-1-ylmethanol;1H-Imidazole-1-methanol;Oxymethylimidazol;1-imidazolylmethanol;imidazol-1yl-methanol;1-hydroxymethyl imidazole;EC-000.1374;DTXSID50394320;AMY39909;MFCD00955583;AKOS006273732;CS-0213227;FT-0652316;F11598;A828633;J-504667

Chemical Property of 1H-imidazol-1-ylmethanol

Chemical Property:

• Vapor Pressure: 0.00031mmHg at 25°C
• Melting Point: 134℃
• Refractive Index: 1.564
• Boiling Point: 307.7 °C at 760 mmHg
• PKA: 11.72±0.10(Predicted)
• Flash Point: 139.9 °C
• PSA: 38.05000
• Density: 1.21 g/cm³
• LogP: -0.16710
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

≥98% ^*data from raw suppliers

(1H-Imidazol-1-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CO

Technology Process of 1H-imidazol-1-ylmethanol

There total 2 articles about 1H-imidazol-1-ylmethanol 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%

1H-imidazole (288-32-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → imidazol-1-yl-methanol (51505-76-1)

Guidance literature:

With triethylamine; at 80 ℃;

DOI:10.1016/j.tetlet.2007.04.121

Reference yield:

→ imidazol-1-yl-methanol (51505-76-1)

Guidance literature:

Imidazol, Formaldehyd;

Reference yield: 85.0%

[1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)iron(II) iodide (55451-49-5) + silver trifluoromethanesulfonate (2923-28-6) + imidazol-1-yl-methanol (51505-76-1) → [Fe(η5-C5H5)(ethylenebis(diphenylphosphane))(N-hydroxymethylimidazole)][CF3SO3]

Guidance literature:

In dichloromethane; for 3h; Inert atmosphere; Reflux;

DOI:10.1016/j.jinorgbio.2013.07.033

upstream raw materials:

1H-imidazole

formaldehyd

Downstream raw materials:

(1H-imidazol-1-yl)methyl 4-(4-methoxyphenylamino)-6-(methylcarbamoyl)-quinoline-3-carboxylate

4-(4-fluorophenyl-amino)-6-methylcarbamoylquinoline-3-carboxylic acid imidazol-1-yl-methyl ester