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

Base Information

• Chemical Name: 1-(1H-imidazol-2-yl)ethanol
• CAS No.: 22098-61-9
• Molecular Formula: C5H8 N2 O
• Molecular Weight: 112.131
• Hs Code.: 2933290090
• European Community (EC) Number: 840-598-8
• ChEMBL ID: CHEMBL4537342
• DSSTox Substance ID: DTXSID00567643
• Mol file: 22098-61-9.mol

Synonyms:22098-61-9;1-(1H-imidazol-2-yl)ethanol;1-(1H-IMIDAZOL-2-YL)-ETHANOL;1-(1H-Imidazol-2-yl)ethan-1-ol;imidazolylethanol;SCHEMBL321153;CHEMBL4537342;DTXSID00567643;AKOS006290748;AT15608;CS-0378172;EN300-233636;A815918

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

Chemical Property:

• Boiling Point: 330.0±25.0 °C(Predicted)
• PKA: 13.41±0.20(Predicted)
• PSA: 48.91000
• Density: 1.218±0.06 g/cm3(Predicted)
• LogP: 0.46300
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=NC=CN1)O

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

There total 1 articles about 1-(1H-imidazol-2-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: 96.0%

1-(1H-imidazol-2-yl)ethanone (53981-69-4) → 1-(1H-imidazol-2-yl)ethan-1-ol (22098-61-9)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 0.5h;

Reference yield: 68.0%

ethyl (5-phenyl-1,2-oxazol-3-yl)methyl methanesulfonate (866641-27-2) + 1-(1H-imidazol-2-yl)ethan-1-ol (22098-61-9) → rac-1-{1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H-imidazol-2-yl}ethan-1-ol

Guidance literature:

With potassium carbonate; In acetonitrile; at 90 ℃; for 7h;

Reference yield: 60.0%

4-chlorobenzyl bromide (622-95-7) + 1-(1H-imidazol-2-yl)ethan-1-ol (22098-61-9) → rac-1-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethanol

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1021/acs.jmedchem.0c01215

upstream raw materials:

1-(1H-imidazol-2-yl)ethanone

Downstream raw materials:

1-(1H-imidazol-2-yl)ethanone