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| CAS No.: | 68-96-2 |
|---|---|
| Name: | Hydroxyprogesterone |
| Article Data: | 86 |
| Molecular Structure: | |
|
|
|
| Formula: | C21H20O3 |
| Molecular Weight: | 330.467 |
| Synonyms: | 17-Hydroxypregn-4-ene-3,20-dione;17-Hydroxyprogesterone;17a-Hydroxylutin;17a-Hydroxypregn-4-ene-3,20-dione;17a-Hydroxyprogesterone;Gestageno;Gestageno Gador;Pregn-4-en-17a-ol-3,20-dione;Prodix;D4-Pregnen-17a-ol-3,20-dione; |
| EINECS: | 200-699-4 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 276 °C |
| Boiling Point: | 482.9 °C at 760 mmHg |
| Flash Point: | 259.9 °C |
| Solubility: | 5.056mg/L(20 oC) |
| Appearance: | White solid |
| Hazard Symbols: |
|
| Risk Codes: | 61 |
| Safety: | 53-22-36/37/39-45 |
| PSA: | 54.37000 |
| LogP: | 3.69430 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 20380-16-9
17α-hydroxy-21-chloro-4-pregnene-3,20-dione
- 68-96-2
17-hydroxyprogesterone
| Conditions | Yield |
|---|---|
| With acetic acid; zinc | 100% |
| With titanium(III) sulphate; sulfuric acid; ammonia In methanol for 10h; | 83% |
- 1202062-99-4
cyclic-3-(1,2-ethanediylmercapto)-17α-hydroxypregn-4-en-20-one
- 68-96-2
17-hydroxyprogesterone
| Conditions | Yield |
|---|---|
| With water; calcium carbonate; methyl iodide In ethanol for 20h; Heating; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With mercaptoacetic acid In formamide for 0.25h; Ambient temperature; | 97.7% |
- 68-96-2
17-hydroxyprogesterone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 40℃; for 4h; pH=1.5 - 2; Temperature; Reagent/catalyst; | 97.4% |
- 83509-38-0
17β-Ethynyl-17α-hydroxyandrost-4-en-3-one
- 68-96-2
17-hydroxyprogesterone
| Conditions | Yield |
|---|---|
| With sulfuric acid; mercury(II) sulfate In water; acetone at 50 - 55℃; for 6h; Temperature; | 86% |
| Conditions | Yield |
|---|---|
| Stage #1: C22H31NO3; dimethyl zinc(II) With lithium chloride In toluene at 60 - 65℃; Stage #2: With hydrogenchloride In water at 55 - 60℃; Solvent; Reagent/catalyst; | 85.2% |
| Conditions | Yield |
|---|---|
| Stage #1: 16-dehydroprogesterone With phenylsilane; oxygen; isopropyl alcohol; Mn(dpm)3 In 1,2-dichloro-ethane at 0 - 25℃; Stage #2: With triethyl phosphite In 1,2-dichloro-ethane | 85% |
| Multi-step reaction with 2 steps 1: 79 percent / RhCl(PPh3)3 2: mCPBA / RhCl(PPh3)3 / CH2Cl2 View Scheme |
| Conditions | Yield |
|---|---|
| In isopropyl alcohol | 85% |
- 4134-58-1, 17308-02-0, 41460-93-9, 41460-97-3, 630-56-8, 302-23-8
hydroxyprogesterone acetate
- 68-96-2
17-hydroxyprogesterone
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In methanol for 1h; Reflux; | 83.3% |
| With potassium hydroxide |
- 4470-79-5
21-Iodo-17α-hydroxypregn-4-en-3,20-dione
- 68-11-1
mercaptoacetic acid
A
- 68-96-2
17-hydroxyprogesterone
B
- 114967-85-0
(17α-Hydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 80℃; | A 71.8% B 24.6% |
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Chemistry
Product Name: Hydroxyprogesterone (CAS NO.68-96-2)
Molecular Formula: C21H30O3
Molecular Weight: 330.46g/mol
EINECS: 200-699-4
Appearance: White Solid
Melting Point: 276°C
Boiling point: 482.9 °C at 760 mmHg
Flash Point: 259.9 °C
Density: 1.15 g/cm3
Refractive index: 90 ° (C=1, CHCl3)
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 86.18 kJ/mol
Vapour Pressure: 2.37E-11 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Hydroxyprogesterone (CAS NO.68-96-2):
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-N
Product Categories: Steroids; Biochemistry; Hydroxyketosteroids; Intermediates & Fine Chemicals; Pharmaceuticals
Safety Profile
Safety Information of Hydroxyprogesterone (CAS NO.68-96-2):
Hazard Codes: T
Risk Statements: 61
R61:May cause harm to the unborn child.
Safety Statements: 53-22-36/37/39-45
S52:Not recommended for interior use on large surface areas.
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: TU5060000
Hazardous Substances Data: 68-96-2(Hazardous Substances Data)
Specification
Hydroxyprogesterone , its CAS NO. is 68-96-2, the synonyms are 17-Hydroxypregn-4-ene-3,20-dione ; 17-Hydroxyprogesterone ; Gestageno gador ; HSDB 3343 ; Hydroxyprogesteronum ; Idrossiprogesterone ; NSC 15468 ; Oxiprogesteronum ; Pregn-4-ene-3,20-dione, 17-hydroxy- ; Proluton ; Setaderm ; alpha Hydroxy progesterone ; delta(4)-Pregnene-17alpha-ol-3,20-dione .