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

Base Information

• Chemical Name: 2-(2-Methyl-1H-imidazol-1-yl)ethanol
• CAS No.: 1615-15-2
• Molecular Formula: C6H10N2O
• Molecular Weight: 126.158
• Hs Code.: 2933290090
• European Community (EC) Number: 803-205-0
• DSSTox Substance ID: DTXSID5061821
• Nikkaji Number: J68.947E
• Wikidata: Q27455394
• Mol file: 1615-15-2.mol

Synonyms:1-(2'-hydroxyethyl)-2-methylimidazole hydrochloride;methimidol;methimidol monohydrochloride

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

Chemical Property:

• Vapor Pressure: 0.000566mmHg at 25°C
• Melting Point: 63-65 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.541
• Boiling Point: 298.5 °C at 760 mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 134.3 °C
• PSA: 38.05000
• Density: 1.12 g/cm³
• LogP: 0.18380
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.079312947
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

98%, ^*data from raw suppliers

2-(2-Methyl-1H-imidazol-1-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN1CCO

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

There total 2 articles about 2-(2-Methyl-1H-imidazol-1-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: 89.0%

Glyoxal (131543-46-9,107-22-2) + ammonia (7664-41-7) + ethanolamine (141-43-5) + acetaldehyde (75-07-0,9002-91-9) → 1H-imidazole (288-32-4) + N-(2'-hydroxyethyl)-2-methylimidazole (1615-15-2)

Guidance literature:

ammonia; ethanolamine; acetaldehyde; In water; at 25 ℃; for 1h;

Glyoxal; ammonia; at 25 ℃; for 1h;

Reference yield:

metronidazole (443-48-1) → 2-methyl-5-nitro-1H-imidazole (696-23-1,88054-22-2) + 2-(5-amino-2-methyl-1H-imidazol-1-yl)ethan-1-ol (84145-87-9) + N-(2'-hydroxyethyl)-2-methylimidazole (1615-15-2)

Guidance literature:

With sodium tetrahydroborate; iron; at 25 ℃; pH=7;

DOI:10.1016/j.molliq.2016.10.040

Reference yield: 73.0%

3-(chloromethyl)-5-(tert-butyl)-2-hydroxybenzaldehyde + N-(2'-hydroxyethyl)-2-methylimidazole (1615-15-2) → 3-(5-(tert-butyl)-3-formyl-2-hydroxybenzyl)-1-(2-hydroxyethyl)-2-methyl-1H-imidazol-3-ium chloride

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1021/jacs.9b04902 DOI:10.1021/jacs.9b10389

upstream raw materials:

Glyoxal

ammonia

ethanolamine

acetaldehyde

Downstream raw materials:

N-vinyl-2-methylimidazole