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Conditions | Yield |
---|---|
With sodium cyanide; manganese(IV) oxide; acetic acid at 80℃; for 12h; | 85% |
Conditions | Yield |
---|---|
With di-tert-butyl-diazodicarboxylate; triphenylphosphine In tetrahydrofuran at -40℃; Mitsunobu reaction; Inert atmosphere; | 70% |
[1-11C]ethyl iodide
(R)-(+)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid
etomidate
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium hydroxide In N,N-dimethyl-formamide at 120℃; for 0.0833333h; |
water
B
etomidate
Conditions | Yield |
---|---|
for 0.0166667h; Kinetics; Time; UV-irradiation; |
acetonitrile
A
bis(acetonitrile)bis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate
B
etomidate
Conditions | Yield |
---|---|
for 1h; Kinetics; Time; UV-irradiation; |
etomidate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: acetic acid; sodium nitrite / tetrahydrofuran; water / 0.5 h / Flow reactor 2: manganese(IV) oxide; sodium cyanide; acetic acid / 12 h / 80 °C View Scheme |
etomidate
(R)-(+)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid
Conditions | Yield |
---|---|
With methanol; lithium hydroxide In tetrahydrofuran; water at 20℃; | 93% |
With sodium hydroxide In methanol at 20℃; for 6h; | 91.5% |
With methanol; sodium hydroxide at 20℃; for 6h; | 90.1% |
Conditions | Yield |
---|---|
With sodium isopropylate at 20℃; for 5h; | 80% |
Conditions | Yield |
---|---|
With sodium n-propoxide at 20℃; for 5h; | 78% |
Conditions | Yield |
---|---|
With sodium methylate at 20℃; for 5h; | 71% |
The Etomidate, with the CAS registry number 33125-97-2, is also known as Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-. It belongs to the product categories of Chiral; Aromatics Compounds; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor; GABA. Its EINECS registry number is 251-385-9. This chemical's molecular formula is C14H16N2O2 and molecular weight is 244.29. What's more, its systematic name is called Ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate. Etomidate is a short acting intravenous anaesthetic agent used for the induction of general anaesthesia and for sedation for short procedures such as reduction of dislocated joints, tracheal intubation and cardioversion.
Physical properties about Etomidate are: (1)ACD/LogP: 3.256; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 166.82; (6)ACD/BCF (pH 7.4): 175.63; (7)ACD/KOC (pH 5.5): 1336.15; (8)ACD/KOC (pH 7.4): 1406.70; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 70.848 cm3; (15)Molar Volume: 218.528 cm3; (16)Polarizability: 28.086×10-24cm3; (17)Surface Tension: 39.829 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 190.563 °C; (20)Enthalpy of Vaporization: 64.11 kJ/mol; (21)Boiling Point: 391.485 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed. Therefore, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cncn1[C@@H](c2ccccc2)C
(2) InChI: InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
(3) InChIKey: NPUKDXXFDDZOKR-LLVKDONJSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TDLo | intravenous | 300ug/kg (.3mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Anesthesia and Analgesia Vol. 55, Pg. 730, 1976. |
man | TDLo | intravenous | 3977ug/kg/3H- (3.977mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Anesthesia and Analgesia Vol. 64, Pg. 80, 1985. |
mouse | LD50 | intravenous | 29500ug/kg (29.5mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 214, Pg. 92, 1975. |
mouse | LD50 | oral | 650mg/kg (650mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65(1), Pg. 19S, 1969. | |
rat | LD50 | intravenous | 14800ug/kg (14.8mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 214, Pg. 92, 1975. |