Toluene diisocyanate manufacturer Knowledge Cholestanol, dihydrocholestanol DihydroCholestanol

Cholestanol, dihydrocholestanol DihydroCholestanol

Cholestanol, dihydrocholesterol structural formula

Structural formula

Business number 01RN
Molecular formula C27H48O
Molecular weight 388.68
label

β-Cholestanol,

3β-Hydroxy-5α-cholestane,

5α-Cholestan-3β-ol,

Dihydrocholesterol

Numbering system

CAS number:80-97-7

MDL number:MFCD00066413

EINECS number:201-315-8

RTECS number:FZ6350000

BRN number:2418594

PubChem number:2418594

Physical property data

1. Properties: The solution is colorless and transparent.

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 138~140℃

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa) : Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): +28°±1°; +24°±1° (c=1, chloroform)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) distribution Log value of coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: dissolve 1g in 10ml chloroform

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 120.35

2. Molar volume (cm3/mol): 406.1

3. Isotonic specific volume (90.2K ): 987.0

4. Surface tension (dyne/cm): 34.8

5. Polarizability (10-24cm3): 47.71

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 9.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 5

5. Topological molecular polar surface area (TPSA): 20.2

6. Number of heavy atoms: 28

7. Surface charge: 0

8. Complexity���540

9. The number of isotope atoms: 0

10. The number of determined atomic stereocenters: 9

11. The number of uncertain atomic stereocenters : 0

12. Determined number of stereocenters of chemical bonds: 0

13. Uncertain number of stereocenters of chemical bonds: 0

14. Covalent bond unit Quantity: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool, dry place. ​

Synthesis method

1. It is obtained by hydrogenation of cholesterol both in vivo and in vitro. It can also be synthesized from fecal sterol. It is present in trace amounts with cholesterol in vertebrate cells and is abundant in nervous tissue and adrenal glands. Dihydrocholesterol in the body can come from external sources or can be synthesized by itself. It can be synthesized by all tissues, but mainly in the liver.

2.

First, remove the crude cholesterol (2) 100g (0.26mol) is recrystallized with 250mL glacial acetic acid. The pure product obtained does not need to be dried and is directly added to the hydrogenation device. Add 300mL glacial acetic acid and 0.5g platinum oxide. Hydrogenate at 65-75℃ under slight pressure. After about 2 hours, hydrogen gas is basically no longer absorbed. After slightly cooling, the reaction mixture was filtered, concentrated under reduced pressure, and crystallized to obtain 85-90 g of crude dihydrocholesterol (containing part of cholesteryl acetate). Add the crude product to 400 mL of ethanol, then mix it with a dilute alkali made of 25 g of potassium hydroxide and 100 mL of water, and react under reflux for 3 hours. Cool, filter, and wash with water. The filter cake was recrystallized with 500 mL of ethanol to obtain 75-80 g of dihydrocholesterol, mp 140-141°C, and a yield of 75%-80%. [1]

Purpose

The role in the body is not yet clear, it may be related to the formation of bile acid and certain hormones

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/24446

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