(R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid

Base Information

Chemical Name:(R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid
CAS No.:56649-48-0
Molecular Formula:C12H12 N2 O2
Molecular Weight:216.239
Hs Code.:
UNII:324NBY7A0M
DSSTox Substance ID:DTXSID20205217
Wikidata:Q27127293
Metabolomics Workbench ID:61155
ChEMBL ID:CHEMBL408404
Mol file:56649-48-0.mol

Synonyms:56649-48-0;Etomidate Acid;(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID;Desethyl-etomidate, (R)-;(R)-Desethyl-etomidate;(+)-Desethyl-etomidate;Etomidate acid, (R)-;Desethyl-etomidate;(R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid;1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid;R 28141;R-28141;3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid;UNII-324NBY7A0M;1-((1R)-1-Phenylethyl)-1H-imidazole-5-carboxylic Acid;1-(1R)-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid;324NBY7A0M;CHEBI:60458;(R)-1-(alpha-methylbenzyl)imidazole-5-carboxylic acid;Desethyletomidate;CHEMBL408404;SCHEMBL1081228;DTXSID20205217;MFCD08061423;AKOS030240712;F19296;R28141;A899779;Q27127293;(R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLICACID;1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID, (R)-;1-[(1R)-1-Phenylethyl]-1H-imidazole-5-carboxylic Acid (Etomidate Acid);Etomidate Acid (1-[(1R)-1-Phenylethyl]-1H-imidazole-5-carboxylic Acid)

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Chemical Property of (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid

Chemical Property:

Melting Point:156.3 °C
Boiling Point:437.5±20.0 °C(Predicted)
PKA:2.29±0.36(Predicted)
PSA：55.12000
Density:1.21±0.1 g/cm3(Predicted)
LogP:2.19060
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.089877630
Heavy Atom Count:16
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O
Isomeric SMILES:C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)O
Uses Etomidate Acid is a metabolite and carboxylic acid analogue of the short-acting hypnotic drug, Etomidate (E933310).

Technology Process of (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid

There total 4 articles about (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid 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: 93.0%