1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester

Base Information

• Chemical Name: 1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester
• CAS No.: 771422-77-6
• Molecular Formula: C₁₅H₁₈N₂O₂
• Molecular Weight: 258.32
• European Community (EC) Number: 828-456-3
• ChEMBL ID: CHEMBL407094
• Nikkaji Number: J239.430H
• Mol file: 771422-77-6.mol

Synonyms:771422-77-6;isopropyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate;1H-imidazole-5-carboxylic acid, 1-[(1r)-1-phenylethyl]-, 1-methylethyl ester;Etomidate EP Impurity C;1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester;CHEMBL407094;F19264;propan-2-yl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;1H-imidazole-5-carboxylicacid,1-[(1r)-1-phenylethyl]-,1-methylethylester

Chemical Property of 1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 258.136827821
• Heavy Atom Count: 19
• Complexity: 301

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CN=CN1C(C)C2=CC=CC=C2
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OC(C)C

Technology Process of 1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester

There total 1 articles about 1-[(R)-alpha-Methylbenzyl]-1H-imidazole-5-carboxylic acid isopropyl ester 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: 80.0%

isopropyl alcohol (67-63-0,8013-70-5) + etomidate (33125-97-2,56649-47-9) → C15H18N2O2 (771422-77-6)

Guidance literature:

With sodium isopropylate; at 20 ℃; for 5h;

DOI:10.1021/jm800012w

upstream raw materials:

isopropyl alcohol

etomidate

Refernces