Products Categories
CAS No.: | 7144-08-3 |
---|---|
Name: | Cholesteryl chloroformate |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C28H46ClO2 |
Molecular Weight: | 449.117 |
Synonyms: | Cholest-5-en-3-ol(3b)-, carbonochloridate (9CI);Cholesterol, chloroformate (6CI,7CI,8CI);Formic acid, chloro-, cholesterylester (8CI);(Cholesteryloxy)carbonyl chloride;3-Cholesteryl chloroformate;3b-[(Chlorocarbonyl)oxy]-5-cholestene;Cholest-5-en-3b-olchloroformate;Cholesterol carbonochloridate;Cholesterol chlorocarbonate;Cholesteryl chlorocarbonate;Cholesteryl chloroformate; |
EINECS: | 230-447-9 |
Density: | 1.05 g/cm3 |
Melting Point: | 115-117 °C(lit.) |
Boiling Point: | 504 °C at 760 mmHg |
Flash Point: | 203.1 °C |
Solubility: | SLOWLY HYDROLYZED |
Appearance: | white powder |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 26.30000 |
LogP: | 8.77180 |
Conditions | Yield |
---|---|
In benzene Ambient temperature; | 90% |
80% |
Conditions | Yield |
---|---|
With diethyl ether | |
With antipyrine; benzene | |
With water; calcium carbonate | |
With hydrogenchloride; water | |
With water |
Conditions | Yield |
---|---|
With water | |
With water; calcium carbonate | |
With hydrogenchloride; water |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 4h; | |
With triethylamine | |
With potassium carbonate In toluene at 0℃; |
(8R,9R,10S,13S,14R,17S)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-10,13-dimethyl-17-((S)-6-methylheptan-2-yl)-1H-cyclopenta[a]phenanthren-3-yl 2-oxo-2-(pyren-1-yl)ethyl carbonate
Cholesteryl chloroformate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: water / acetonitrile / pH 7.5 / Photolysis; Inert atmosphere 2: sodium carbonate / toluene / 6 h / 0 °C View Scheme |
Cholesteryl chloroformate
Conditions | Yield |
---|---|
With sodium azide In acetone at 40℃; for 6h; Inert atmosphere; | 100% |
With sodium azide |
Cholesteryl chloroformate
ethylenediamine
3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 24h; Cooling with ice; | 99.1% |
With triethylamine In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere; | 96% |
With triethylamine In tetrahydrofuran; dichloromethane; isopropyl alcohol at 0 - 20℃; for 6h; | 95% |
Cholesteryl chloroformate
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 1h; Cooling with ice; | 99% |
Cholesteryl chloroformate
propan-1-ol-3-amine
cholesterol-3-(carboxyaminopropan-3-ol)
Conditions | Yield |
---|---|
In dichloromethane for 5h; | 98% |
In dichloromethane Ambient temperature; | 93% |
With triethylamine In dichloromethane at 20℃; for 2h; |
Cholesteryl chloroformate
1,1-dibromo-1-fluoro-4-phenyl-2-butanol
C38H55Br2FO3
Conditions | Yield |
---|---|
With dmap; triethylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 98% |
What can I do for you?
Get Best Price
The CAS registry number of Cholest-5-en-3-ol (3beta)-, 3-(carbonochloridate) is 7144-08-3. Its EINECS registry number is 230-447-9. The IUPAC name is [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate. In addition, the molecular formula is C28H45ClO2 and the molecular weight is 449.11. It is also called cholesterol chloroformate. What's more, it is a kind of white to off-white crystalline powder and belongs to the classes of Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals Related Compounds; Chiral Building Blocks; CholestericAsymmetric Synthesis; Complex Molecules; Liquid Crystals; Organic Electronics and Photonics; Steroids.
Physical properties about Cholest-5-en-3-ol (3beta)-, 3-(carbonochloridate) are: (1)ACD/LogP: 11.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.5; (4)ACD/LogD (pH 7.4): 11.5; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 129.76 cm3; (15)Molar Volume: 424.3 cm3; (16)Polarizability: 51.44×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 203.1 °C; (20)Enthalpy of Vaporization: 77.33 kJ/mol; (21)Boiling Point: 504 °C at 760 mmHg; (22)Vapour Pressure: 2.77E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical causes burns. During using it, you should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
(3)InChIKey: QNEPTKZEXBPDLF-JDTILAPWBN