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| CAS No.: | 850-52-2 |
|---|---|
| Name: | Altrenogest |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C21H26O2 |
| Molecular Weight: | 310.436 |
| Synonyms: | Estra-4,9,11-trien-3-one,17-hydroxy-17-(2-propenyl)-, (17b)- (9CI);Estra-4,9,11-trien-3-one, 17a-allyl-17-hydroxy- (7CI,8CI);A 35957;Allyltrenbolone;Regumate; |
| EINECS: | 212-703-1 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 120oC |
| Boiling Point: | 495.6 °C at 760 mmHg |
| Flash Point: | 210.1 °C |
| Appearance: | Slightly yellow powder |
| PSA: | 37.30000 |
| LogP: | 4.27560 |
- 852475-26-4MC1568
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| With chloranil In dichloromethane at 20℃; for 1h; Time; | 77.3% |
- 23760-34-1
17β-hydroxy-17α-propenylestrone-3-one-5,10-diene
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| With chloranil; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 0℃; Reagent/catalyst; Temperature; | 75.8% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 0 - 5℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| Stage #1: Trendione With hydrogenchloride In ethylene glycol at 10 - 60℃; for 10h; Autoclave; Stage #2: allylmagnesium bromide In tetrahydrofuran; diethyl ether at 0℃; for 6h; Temperature; Solvent; Autoclave; | 65% |
| Conditions | Yield |
|---|---|
| Stage #1: Trendione With hydrogenchloride In ethylene glycol at 25 - 60℃; for 10h; Autoclave; Stage #2: allylmagnesium bromide In tetrahydrofuran; diethyl ether at 0℃; for 5h; Autoclave; | 60% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 2-methyltetrahydrofuran / 0.5 h / -5 - 0 °C / Inert atmosphere; Large scale 2: dichloro-acetic acid / water / -13 - -7 °C 3: 2,3-dicyano-5,6-dichloro-p-benzoquinone / dichloromethane / 0.5 h / 0 - 5 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: hydrogenchloride / water / 1 h / Reflux; Green chemistry 2: tetrahydrofuran / 2 h / -5 - 20 °C / Green chemistry 3: oxalic acid / acetone; methanol / 1 h / 15 - 20 °C / Inert atmosphere; Green chemistry 4: 2,3-dicyano-5,6-dichloro-p-benzoquinone / chloroform / 2 h / 30 °C / Green chemistry View Scheme | |
| Multi-step reaction with 3 steps 1: lithium diisopropyl amide / tetrahydrofuran / 0.67 h / -40 - 20 °C / Industrial scale 2: tetrahydrofuran / 1 h / -15 - 20 °C / Industrial scale 3: chloranil / dichloromethane / 1 h / 20 °C View Scheme |
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In chloroform at 30℃; for 2h; Green chemistry; | 60 g |
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tetrahydrofuran / 2 h / -5 - 20 °C / Green chemistry 2: oxalic acid / acetone; methanol / 1 h / 15 - 20 °C / Inert atmosphere; Green chemistry 3: 2,3-dicyano-5,6-dichloro-p-benzoquinone / chloroform / 2 h / 30 °C / Green chemistry View Scheme |
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: oxalic acid / acetone; methanol / 1 h / 15 - 20 °C / Inert atmosphere; Green chemistry 2: 2,3-dicyano-5,6-dichloro-p-benzoquinone / chloroform / 2 h / 30 °C / Green chemistry View Scheme |
- 10109-76-9
3,3-dimethoxy-estra-5(10),9(11)-diene-17-one
- 850-52-2
Altrenogest
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: diethyl ether / 20 °C / Inert atmosphere 2: sulfuric acid / acetone; water / 15 °C 3: chloranil; 2,3-dicyano-5,6-dichloro-p-benzoquinone / dichloromethane / 0 °C View Scheme |
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Chemistry
Product Name: Altrenogest (CAS NO.850-52-2)
Molecular Formula: C21H26O2
Molecular Weight: 310.43g/mol
Mol File: 850-52-2.mol
Einecs: 212-703-1
Boiling point: 495.6 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 210.1 °C
Density: 1.15 g/cm3
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 87.9 kJ/mol
Vapour Pressure: 6.71E-12 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Altrenogest (CAS NO.850-52-2):
IUPAC Name: (8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES: CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(CC=C)O
Isomeric SMILES: C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O
InChI: InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1
InChIKey: VWAUPFMBXBWEQY-ANULTFPQSA-N
Product Categories: Hormone
Specification
Altrenogest ,its CAS NO. is 850-52-2,the synonyms is 17-alpha-Allyl-estratriene-4,9,11,17-beta-ol-3-one ; 17alpha-Allyl-17-hydroxyestra-4,9,11-trien-3-one ; A 35957 ; Allyl trenbolone ; Altrenogestum ; DRC 6246 ; EINECS 212-703-1 ; Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propen-1-yl)-, (17beta)- ; Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)- ; R 2267 ; REGU-MATE ; RU 2267 ; UNII-2U0X0JA2NB ; (17beta)-17-Hydroxy-17-(2-propenyl)estra-4,9,11-trien-3-one ; Altrenogest ; Estra-4,9,11-trien-3-one, 17-alpha-allyl-17-hydroxy- ; Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17-beta)- (9CI) ; Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)- .