CAS No.481-21-0,5α-Cholestane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	481-21-0
Name:	5α-Cholestane
Article Data:	163

Formula:	C₂₇H₄₈
Molecular Weight:	372.678
Synonyms:	28,29,30-Trinorlanostane;NSC 224419;(20R)-5a(H),14a(H),17a(H)-Cholestane;5a-Cholestane (6CI,8CI);
EINECS:	207-562-8
Density:	0.91 g/cm³
Melting Point:	78-80 °C
Boiling Point:	440.9 °C at 760 mmHg
Flash Point:	210.3 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-38-40-48/20/22
Safety:	24/25-36/37
Transport Information:	UN 1888 6.1/PG 3
PSA:	0.00000
LogP:	8.49780

Synthetic route

: 97100-53-3
3-bromocholestane

: 481-21-0
cholestane

Conditions

Conditions	Yield
With triethyl borane; 1,1,2,2-tetraphenyldisilane In ethanol for 4h; Ambient temperature;	99%

: 75809-01-7
3β-phenylselenenyl-5α-cholestane

: 481-21-0
cholestane

Conditions

Conditions	Yield
With triethyl borane; 1,1,2,2-tetraphenyldisilane In ethyl acetate at 20℃; for 1h; Reduction;	99%

: 13901-19-4, 15910-23-3, 570-73-0
cholest-2-ene

: 481-21-0
cholestane

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In methanol for 2h; Heating;	99%

: 2309-03-7
(3R,5S,8R,9S,10S,13R,14S,17R)-3-bromo-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene

: 481-21-0
cholestane

Conditions

Conditions	Yield
With water; zinc In acetonitrile at 80℃; for 30h; Sealed tube; Inert atmosphere;	97%
With water; zinc In acetonitrile at 80℃; for 30h; Inert atmosphere; Sealed tube;	97%
With triethylsilane; 2,3,3,4,4,5-hexamethyl-2-hexanethiol In cyclohexane Heating;	86%

: 73532-35-1
5α-cholestan-3β-yl adamantane-1-carboxylate

A: 770-71-8
1-adamantanemethanol

B: 828-51-3
1-Adamantanecarboxylic acid

C: 481-21-0
cholestane

D: 80-97-7
Cholestanol

Conditions

Conditions	Yield
With 18-crown-6 ether; tert-butylamine In tetrahydrofuran at 46℃; further reagent;	A 2% B 96% C 43% D 57%
With lithium; ethylamine at 17℃; further reagent;	A 65% B 4% C 4% D 94%

...Expand

: 1981-90-4
(5α-cholestan-3β-yl)-methyl ether

: 481-21-0
cholestane

Conditions

Conditions	Yield
With triethylsilane; (η4-1,5-cyclooctadiene)bis(triphenylphosphine)iridium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate In dichloromethane-d2 at 50℃; for 2h; Reagent/catalyst;	95%

: 130534-82-6
O-cholestan-3β-yl-O'-(4-fluorophenyl)thionocarbonate

: 481-21-0
cholestane

Conditions

Conditions	Yield
With triethyl borane; diphenylsilane; oxygen In hexane; benzene at 80℃; for 0.5h;	93%
With triethylsilane; Perbenzoic acid for 1.5h; Heating;	93%
With 2,2'-azobis(isobutyronitrile); phosphoric acid In 1,4-dioxane Heating;	93%
With Perbenzoic acid; phenylsilane In toluene for 1.33333h; Heating;	87%

: 73532-35-1
5α-cholestan-3β-yl adamantane-1-carboxylate

A: 770-71-8
1-adamantanemethanol

B: 1501-94-6
N-ethyl-1-adamantanecarboxamide

C: 481-21-0
cholestane

D: 80-97-7
Cholestanol

Conditions

Conditions	Yield
With lithium; ethylamine In tetrahydrofuran at -73℃; further reagent;	A 69% B 0.5% C 1% D 93%

...Expand

: Thiocarbonic acid O-[(5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl] ester O-(4-fluoro-phenyl) ester

: 481-21-0
cholestane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); hypophosphorous acid; triethylamine In 1,4-dioxane; water for 2.5h; Heating;	93%

: 75-04-7
ethylamine

: 73532-35-1
5α-cholestan-3β-yl adamantane-1-carboxylate

A: 828-51-3
1-Adamantanecarboxylic acid

B: 1501-94-6
N-ethyl-1-adamantanecarboxamide

C: 481-21-0
cholestane

D: 80-97-7
Cholestanol

Conditions

Conditions	Yield
With lithium In tetrahydrofuran at 17℃; Further byproducts given;	A 4% B 92% C 7% D 85%

...Expand

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Specification

The CAS register number of Cholestane, (5α)- is 481-21-0. It also can be called as 28,29,30-Trinorlanostane and the systematic name about this chemical is (5α)-cholestane. The molecular formula about this chemical is C₂₇H₄₈ and the molecular weight is 372.67. It belongs to the following product categories which include CHLipids; Cholesterol and DerivativesOther Lipid Related Products; SterolsFood&Beverage Standards; Alphabetic; C; FA/FAME/Lipids/Steroids; Lipid Analytical Standards; Cholesterol and Derivatives; Lipids; Sterols; Cholesterol and DerivativesAsymmetric Synthesis; Chiral Building Blocks; Complex Molecules and so on.

Physical properties about Cholestane, (5α)- are: (1)ACD/LogP: 12.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.26; (4)ACD/LogD (pH 7.4): 12.26; (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)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 118.76 cm³; (12)Molar Volume: 409.1 cm³; (13)Polarizability: 47.08x10^-24cm³; (14)Surface Tension: 31.8 dyne/cm; (15)Density: 0.91 g/cm³; (16)Flash Point: 210.3 °C; (17)Enthalpy of Vaporization: 67.13 kJ/mol; (18)Boiling Point: 440.9 °C at 760 mmHg; (19)Vapour Pressure: 1.47E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by b-dihydrocholesterol methoxymethyl ether. This reaction will need reagents of 2,2-bis(tert-butylperoxy)butane, tri-tert-butoxysilanethiol and solvent of octane. This reaction needs heating. The reaction time is 160 mins. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and by inhalation. It is irritating to skin. It may also cause damage to health and danger of serious damage to health by prolonged exposure. There is limited evidence of a carcinogenic effect. However, if you want to store this chemical, please wear suitable protective clothing and gloves. When you are using it, avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places. It should be kept away from oxide. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: [C@@H]41CCCC[C@@]1([C@@H]3[C@H]([C@@H]2CC[C@@H]([C@@]2(C)CC3)[C@H](C)CCCC(C)C)CC4)C
(2)InChI: InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: XIIAYQZJNBULGD-XWLABEFZBM
(4)Std. InChI: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: XIIAYQZJNBULGD-XWLABEFZSA-N