(1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol | CAS No. 103909-75-7
(1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
Basic Information
CAS Number
103909-75-7
Molecular Formula
C26H42O4
Molecular Weight
418.62 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
122°
Specific Rotation
D20 +49.4° (c = l.00 in ethanol)
Synonyms & References
English
- AKOS005145563
- 22-Oxacalcitrol
- AC-8888
- CHEMBL333950
- (1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
- 22-Oxacalcitriol
- LMST03020060
- Maxacalcitol [USAN:INN]
- Sch 209579
- Q27083635
- (5Z,7E)-9,10-SECO-22-OXACHOLESTA-5,7,10(19)-TRIENE-1a,3?,25-TRIOL
- (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
- Maxacalcitol (JAN/USAN/INN)
- CS-0392
- (1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-Hydroxy-3-Methylbutoxy)-9,10-Secopregna-5,7,10-Triene-1,3-Diol
- DTXXSJZBSTYZKE-ZDQKKZTESA-N
- 1,3-CYCLOHEXANEDIOL,4-METHYLENE-5-[(2E)-2-[(1S,3AS,7AS)-OCTAHYDRO-1-[(1S)-1-(3-HYDROXY-3-METHYLBUTOXY)ETHYL]-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-,(1R,3S,5Z)-
- SCHEMBL2745
- GTPL2784
- Oxarol (TN)
- Maxacalcitrol
- Prezios (TN)
- (+)-(5Z,7E)-(1S,3R,20S)-20-(3-Hydroxy-3-methylbutyloxy)-9,10-secopregna-5,7,10(19)-triene-1,3-diol
- CHEBI:31801
- Maxacalcitol [USAN]
- UNII-N2UJM5NBF6
- Prezios
- MAXACALCITOL [WHO-DD]
- AMY38741
- MAXACALCITOL [MART.]
- Sch-209579
MDL Number
MFCD00871502
FAQ
What are the physical and chemical properties of (1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol (CAS: 103909-75-7)?
(1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol is a white to off-white crystalline powder. Its molecular weight is approximately 462.69 g/mol. The compound is poorly soluble in water but soluble in organic solvents like ethanol and chloroform. Chemically, it exhibits limited reactivity, particularly under acidic or basic conditions. It can undergo hydrolysis under certain conditions, making it sensitive to temperature and pH changes.
How is (1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol (CAS: 103909-75-7) typically synthesized?
(1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol is synthesized via a multi-step process involving key reactions such as alkylation, hydroxylation, and diol formation. Typically, the synthesis involves the use of titanium tetrachloride as a catalyst and proceeds with high selectivity. The overall yield is between 65-80%, depending on the reaction conditions and purity of the starting materials.
What industries use (1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol (CAS: 103909-75-7)?
(1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol finds applications in the pharmaceutical industry for the development of certain drugs. It is also used in the production of natural products and environmental monitoring due to its specific physicochemical properties. Additionally, it can be utilized in agricultural chemicals for pest control and as a feed additive in the animal husbandry sector.
What precautions should be taken when handling (1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol (CAS: 103909-75-7)?
Handling (1S,3R,5Z,7E,9xi,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbents and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.
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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