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850-52-2

Basic Information
CAS No.: 850-52-2
Name: Altrenogest
Molecular Structure:
Molecular Structure of 850-52-2 (Altrenogest)
Formula: C21H26O2
Molecular Weight: 310.47
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
Solubility:
Appearance: Slightly yellow powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 37.30000
LogP: 4.27560
Synthetic route

C24H36O2Si

850-52-2

Altrenogest

Conditions
ConditionsYield
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
ConditionsYield
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;
4642-95-9

Trendione

1730-25-2

allylmagnesium bromide

850-52-2

Altrenogest

Conditions
ConditionsYield
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%
2622-05-1

allylmagnesium bromide

4642-95-9

Trendione

850-52-2

Altrenogest

Conditions
ConditionsYield
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%
5571-36-8

ethylene deltenone

850-52-2

Altrenogest

Conditions
ConditionsYield
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
5173-46-6

4,9-Androstadiene-3,17-dione

850-52-2

Altrenogest

Conditions
ConditionsYield
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

17α-allyl-17β-hydroxyestra-4,9-dien-3-one

850-52-2

Altrenogest

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In chloroform at 30℃; for 2h; Green chemistry;60 g

C20H28O3

850-52-2

Altrenogest

Conditions
ConditionsYield
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

C23H34O3

850-52-2

Altrenogest

Conditions
ConditionsYield
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
ConditionsYield
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
850-52-2

Altrenogest

altrenogest

Conditions
ConditionsYield
In [D3]acetonitrile Schlenk technique; Sealed tube; UV-irradiation;96%
850-52-2

Altrenogest

propyltrenbolone

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In methanol for 0.916667h;81%
850-52-2

Altrenogest

1062120-74-4

C21H21(2)H5O2

Conditions
ConditionsYield
With C21H49IrNP2; benzene-d6 at 20℃; for 20h;
1873-88-7

1,1,1,3,5,5,5-heptamethyltrisiloxan

850-52-2

Altrenogest

A

1454834-22-0

C28H46O4Si3

B

1454834-23-1

C28H46O4Si3

Conditions
ConditionsYield
Stage #1: 1,1,1,3,5,5,5-heptamethyltrisiloxan With 3,4,7,8-Tetramethyl-o-phenanthrolin; [{Ir(coe)2OH}2] In tetrahydrofuran at 20℃; for 0.0833333h; Glovebox; Inert atmosphere;
Stage #2: Altrenogest With norbornene In tetrahydrofuran at 20 - 50℃; Sealed tube; Overall yield = 61 %; Overall yield = 65 mg; diastereoselective reaction;
A n/a
B n/a
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    Name Altrenogest Molecular Structure Molecular Formula C21H26O2 Molecular Weight 31

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  • High purity Altrenogest CAS No.:850-52-2

  • Casno:

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    High purity Altrenogest CAS No.:850-52-2

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    Altrenogest CAS No.:850-52-2 Name: Altrenogest Molecular Structure Molecular Formula: C21H26O2 Molecular Weight: 310.43 CAS Registry Number: 850-52-2 EINECS: 212-703-1 Appeara

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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)- .

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