(R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate | CAS No. 10538-59-7
(R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Basic Information
CAS Number
10538-59-7
Molecular Formula
C25H40O4
Molecular Weight
404.59 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
107-109 ºC
Solubility
Insuluble (2.1E-3 g/L) (25 ºC),
Synonyms & References
English
- 7-ketolithocholic Methyl ester
- Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate
- Methyl 3alpha-hydroxy-7-oxo-5beta-cholan-24-oate
- Obeticholic Acid N-4
- obeticholic acid intermediate 2
- 5β-Cholanic acid, 3α-hydroxy-7-oxo-, methyl ester
- route 3 intermediate2
- 7-Ketolithocholic acid methyl ester (BTC-E1)
- Nutriacholic Acid Methyl Ester
- (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- .7-ketolithocholic acid methyl ester
- .methyl 3α-hydroxy-7-keto-5β-cholan-24-oate
- .methyl 3α-hydroxy-7-keto-5β-cholanate
- .Methyl 3α-hydroxy-7-oxo-5β-cholan-24-oate
- .methyl 7-oxo-3α-hydroxy-5β-cholanoate
- 3α-hydroxy-7-keto-5β-cholan-24-oic acid methyl ester
- Obeticholicacid
- Obeticholic intermediate-2
- FNBYYFMYNRYPPC-YLOOLPOOSA-N
- AK319409
- methyl 3alpha-hydroxy-7-keto-5beta-cholanoate
- Methyl-3alpha-hydroxy-7-oxo-5beta-cholanoate
- Methyl 3alpha-hyd
- OCA-B ；7-ketolithocholic Methyl ester
- Methyl (3I+/-,5I(2))-3-hydroxy-7-oxocholan-24-oate
- MFCD00271395
- C25H40O4
- 7-oxolithocholic acid methyl ester
- DTXSID101258388
- METHYL (4R)-4-[(1R,3AS,3BR,5AS,7R,9AS,9BS,11AR)-7-HYDROXY-9A,11A-DIMETHYL-4-OXO-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-1-YL]PENTANOATE
- AS-10724
MDL Number
MFCD00271395
FAQ
What are the physical and chemical properties of (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (CAS: 10538-59-7)?
The compound is an optically active methyl ester with a crystalline form. Its molecular weight is approximately 464.58 g/mol. It has a low solubility in water but is soluble in organic solvents. Chemically, it shows reactivity towards nucleophiles and can undergo hydrolysis. It is stable under normal storage conditions but should be protected from moisture and heat.
How is (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (CAS: 10538-59-7) typically synthesized?
The compound is synthesized via a multi-step process involving protection of the phenanthrene ring, esterification, and ring-opening of the cyclohexene oxide. Commonly used catalysts include acid or base conditions, and the yield and selectivity can be optimized with careful control of reaction conditions.
What industries use (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (CAS: 10538-59-7)?
This compound is primarily used in the pharmaceutical industry for the development of certain drugs. It is also explored in the polymer and sensor industries for its unique chemical properties and potential applications.
What precautions should be taken when handling (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (CAS: 10538-59-7)?
Handle the compound in a well-ventilated area or fume hood. Use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Store in a cool, dry place away from moisture and heat sources. In case of spill, neutralize with appropriate chemicals and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for more detailed handling and emergency procedures.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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