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| Name |
Allylestrenol |
EINECS | 207-082-9 |
| CAS No. | 432-60-0 | Density | 1.04 g/cm3 |
| PSA | 20.23000 | LogP | 5.25640 |
| Solubility | N/A | Melting Point |
78 - 81oC |
| Formula | C21H32O | Boiling Point | 405.4 °C at 760 mmHg |
| Molecular Weight | 300.484 | Flash Point | 170.6 °C |
| Transport Information | N/A | Appearance | Powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Estr-4-en-17-ol,17-(2-propenyl)-, (17b)- (9CI);Estr-4-en-17b-ol, 17-allyl- (6CI,8CI);17a-Allyl-17b-hydroxy-D4-estren;17a-Allyl-4-oestren-17b-ol;17a-Allylestr-4-en-17b-ol;17a-Allylestrenol;Gestanin;Gestanol;Gestanon;NSC 37723;Orageston;Turinal;Estr-4-en-17-ol,17-(2-propen-1-yl)-, (17b)-; |
Allylestrenol Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-Dichloroethylene; allylestrenol With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 22℃; for 0.25h; Glovebox; Inert atmosphere; Stage #2: With C52H57F5MoN2O In benzene at 22℃; for 4h; Glovebox; Inert atmosphere; Stage #3: With silica gel In hexane; ethyl acetate stereoselective reaction; | 61% |
| Conditions | Yield |
|---|---|
| With dimanganese decacarbonyl; N,N-bis(diphenylphosphino)isopropylamine at 160℃; for 24h; Sealed tube; regioselective reaction; | 47% |
- 432-60-0
allylestrenol
- 95001-26-6
19,21,24-trinor-17βH-chol-4-en-17-ol
| Conditions | Yield |
|---|---|
| Hydrogenation; |
| Conditions | Yield |
|---|---|
| With 1,2-Dichloroethylene at 22℃; for 0.25h; Glovebox; Inert atmosphere; |
Allylestrenol Chemical Properties
Molecular Structure of Allylestrenol (CAS NO.432-60-0):
.jpg)
IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-Methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular Weight: 300.47818 [g/mol]
Molecular Formula: C21H32O
XLogP3-AA: 5.3
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 207-082-9
Product Categories: Medicine intermediate
Index of Refraction: 1.552
Molar Refractivity: 92.02 cm3
Molar Volume: 287.7 cm3
Surface Tension: 40.8 dyne/cm
Density: 1.04 g/cm3
Flash Point: 170.6 °C
Enthalpy of Vaporization: 75.92 kJ/mol
Boiling Point: 405.4 °C at 760 mmHg
Vapour Pressure: 2.92E-08 mmHg at 25 °C
Appearance: white crystalline powder
Melting Point: 80 °C
Classification Code: Hormone; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Human Data; Progestins; Reproductive Effect
Allylestrenol Uses
Allylestrenol (CAS NO.432-60-0) can be used as pharmaceutical raw material and intermediates reagent.
Allylestrenol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | > 640mg/kg (640mg/kg) | Drugs in Japan Vol. 6, Pg. 41, 1982. |
Allylestrenol Safety Profile
Human reproductive effects. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Allylestrenol Specification
Allylestrenol (CAS NO.432-60-0), its Synonyms are 17-(2-Propenyl)estr-4-en-17-ol ; 17-Hydroxy-17-alpha-allyl-4-estrene ; 17-alpha-Allyl-17-beta-hydroxy-4-estrene ; 17-alpha-Allyl-17-beta-hydroxy-delta(sup 4)-estren ; 17-alpha-Allyl-3-deoxy-19-nortestosterone ; 17-alpha-Allyl-4-oestrene-17-beta-ol ; 19-Nor-17-alpha-preg-4-en-17-ol, 21-methylene- ; 21-Methylene-19-nor-17-alpha-preg-4-en-17-ol ; 3-Deoxy-17-alpha-allyl-19-nortestosterone ; Allylestrenolum ; Estrenol, allyl- ; Gestanin ; Organon ; Turinal .
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