2-(1H-imidazol-5-yl)ethanol

Base Information

• Chemical Name: 2-(1H-imidazol-5-yl)ethanol
• CAS No.: 872-82-2
• Molecular Formula: C5H8 N2 O
• Molecular Weight: 112.131
• DSSTox Substance ID: DTXSID90236179
• Nikkaji Number: J1.399.479J
• Wikidata: Q72482384
• Mol file: 872-82-2.mol

Synonyms:histaminol;IMET;imidazolyl-4-ethanol

Chemical Property of 2-(1H-imidazol-5-yl)ethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 82 °C
• Refractive Index: 1.568
• Boiling Point: 359.8ºC at 760 mmHg
• PKA: 14.11±0.10(Predicted)
• Flash Point: 171.4ºC
• PSA: 48.91000
• Density: 1.228 g/cm³
• LogP: -0.05550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

97% ^*data from raw suppliers

Imidazolyl-4-ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)CCO

Technology Process of 2-(1H-imidazol-5-yl)ethanol

There total 9 articles about 2-(1H-imidazol-5-yl)ethanol 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:

histamine hydrochloride (55-36-7) → 2-(1H-imidazol-4-yl)ethanol (872-82-2)

Guidance literature:

With ethanol; diamine oxidase from pea seedling; liver alcohol dehydrogenase; NAD; catalase; at 37 ℃; for 48h; phosphate buffer (pH 7);

Reference yield:

methyl 2-(1H-imidazol-4-yl)acetate hydrochloride (51718-80-0) → 2-(1H-imidazol-4-yl)ethanol (872-82-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating / reflux;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4-dihydroxy-2-butanone (140-86-3) → 2-(1H-imidazol-4-yl)ethanol (872-82-2)

Guidance literature:

With ammonium hydroxide; copper(II) sulfate;

upstream raw materials:

formaldehyd

1,4-dihydroxy-2-butanone

4-(2-hydroxy-ethyl)-1,3-dihydro-imidazole-2-thione

histamine hydrochloride

Downstream raw materials:

Phenyl-carbamic acid 2-(1H-imidazol-4-yl)-ethyl ester

NO-bis-p-tolylsulphonylhistaminol

2-(1H-imidazol-4-yl)acetic acid

histamine dichloride