1-phenethyl-1H-imidazole

Base Information

• Chemical Name: 1-phenethyl-1H-imidazole
• CAS No.: 49823-14-5
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• Hs Code.: 2933290090
• European Community (EC) Number: 805-891-7
• DSSTox Substance ID: DTXSID60436861
• Nikkaji Number: J385.686K
• Wikidata: Q72500893
• ChEMBL ID: CHEMBL385589
• Mol file: 49823-14-5.mol

Synonyms:1-phenethyl-1H-imidazole;49823-14-5;1-phenethylimidazole;1-(2-phenylethyl)-1H-imidazole;1-(2-phenylethyl)imidazole;N-phenethylimidazole;1-(Phenylethyl)imidazole;SCHEMBL409741;CHEMBL385589;DTXSID60436861;SSENHTOBLYRWKU-UHFFFAOYSA-N;1H-Imidazole-1-(2-Phenylethyl);BDBM140266;BCP10941;MFCD11977663;AKOS009098278;AS-47298;CS-0186360;FT-0698479;P2065;F13151;US8906943, 11;1-Phenethylimidazole/1-(2-Phenylethyl)-1H-imidazole;Z203975342

Chemical Property of 1-phenethyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 349.146 °C at 760 mmHg
• PKA: 7.04±0.10(Predicted)
• Flash Point: 164.958 °C
• PSA: 17.82000
• Density: 1.025 g/cm³
• LogP: 2.12580
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

98% ^*data from raw suppliers

1-Phenethylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCN2C=CN=C2
• Uses: 1-Phenethylimidazole, is a N-substituted imidazole derivative, which has been shown to act as an inhibitor of nitric oxide synthase.

Technology Process of 1-phenethyl-1H-imidazole

There total 12 articles about 1-phenethyl-1H-imidazole 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: 94.0%

1H-imidazole (288-32-4) + 2-phenylethanol (60-12-8) → 1-(2-phenylethyl)-1H-imidazole (49823-14-5)

Guidance literature:

With tributylphosphine; diamide; In benzene; at 60 ℃;

DOI:10.1016/j.tetlet.2004.11.144

Reference yield: 82.0%

1-(2-chloro-2-phenylethyl)imidazole → 1-(2-phenylethyl)-1H-imidazole (49823-14-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; for 4h; Heating;

DOI:10.1002/jhet.5570310621

Reference yield: 63.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) + phenethylamine (64-04-0) → 1-(2-phenylethyl)-1H-imidazole (49823-14-5)

Guidance literature:

With ammonium acetate; In methanol; water; for 5h; Heating;

DOI:10.1016/j.tet.2006.05.079

upstream raw materials:

1H-imidazole

2-phenylethyl tosylate

1-phenyl-2-bromoethane

2-phenylethanol

Downstream raw materials:

4-[1-(2-phenylethyl)-1H-imidazol-2-yl]-1-benzyl-4-piperidinol

11-piperidin-4-ylidene-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine

11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine

Refernces

• 1、 -. "HETEROARYL COMPOUNDS COMPRISING NITROGEN AND USE THEREOF". Paragraph 0062; 0063; 0064; 0065; 0094'; 0095; 0096; 0097. . Retrieved 2017/11/14.
• 2、 -. "A PROCESS FOR THE PREPARATION OF ALCAFTADINE". Page/Page column 17; 18. . Retrieved 2014/06/23.