3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester

Base Information

Chemical Name:3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
CAS No.:56649-47-9
Molecular Formula:C14H16N2O2
Molecular Weight:244.28900
Hs Code.:
European Community (EC) Number:251-385-9,828-474-1
Nikkaji Number:J954.092J
Wikipedia:Etomidate
Wikidata:Q27167116
NCI Thesaurus Code:C47527
RXCUI:4177
Pharos Ligand ID:VQGKVBLD3DHC
ChEMBL ID:CHEMBL279678
Mol file:56649-47-9.mol

Synonyms:Ethomidate;Etomidate;Hypnomidate;R 26490;R-26490;R26490;Radenarkon

Suppliers and Price of 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
S-(-)-Etomidate
100mg
$ 1130.00

Medical Isotopes, Inc.
S-(-)-Etomidate
25 mg
$ 675.00

Total 7 raw suppliers

Chemical Property of 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester

Chemical Property:

PSA：44.12000
LogP:2.66910
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:244.121177757
Heavy Atom Count:18
Complexity:277

Purity/Quality:

99%, ^*data from raw suppliers

S-(-)-Etomidate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2
Isomeric SMILES:CCOC(=O)C1=CN=CN1[C@@H](C)C2=CC=CC=C2
Recent EU Clinical Trials:Propofol and etomidate.
Uses Etomidate (E933300) is a hypnotic. This is a stereoisomer.

Technology Process of 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester

There total 9 articles about 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl 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: 85.0%

: 64-17-5
ethanol

: 1-[(1R)-1-phenylethyl]-5-hydroxymethylimidazole

: 33125-97-2,56649-47-9
etomidate

Guidance literature:: With sodium cyanide; manganese(IV) oxide; acetic acid; at 80 ℃; for 12h;
DOI:10.1002/ejoc.201700833

Reference yield: 82.0%

: 64-17-5
ethanol

: 1-[(1S)-1-phenylethyl]-5-hydroxymethylimidazole

: 56649-47-9
(-)-Etomidate

Guidance literature:: With sodium cyanide; manganese(IV) oxide; acetic acid; at 80 ℃; for 12h;
DOI:10.1002/ejoc.201700833

Reference yield: 70.0%

: 1445-91-6
(S)-1-phenylethanol

: 23785-21-9
1H-imidazole-5-carboxylic acid ethyl ester

: 33125-97-2,56649-47-9
etomidate

Guidance literature:: With di-tert-butyl-diazodicarboxylate; triphenylphosphine; In tetrahydrofuran; at -40 ℃; Inert atmosphere;
DOI:10.1021/jo201237h