Product Name

  • Name

    Altrenogest

  • EINECS 212-703-1
  • CAS No. 850-52-2
  • Article Data8
  • CAS DataBase
  • Density 1.15 g/cm3
  • Solubility
  • Melting Point 120oC
  • Formula C21H26O2
  • Boiling Point 495.6 °C at 760 mmHg
  • Molecular Weight 310.436
  • Flash Point 210.1 °C
  • Transport Information
  • Appearance Slightly yellow powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 850-52-2 (Altrenogest)
  • Hazard Symbols
  • 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;
  • PSA 37.30000
  • LogP 4.27560

Synthetic route

C24H36O2Si

C24H36O2Si

Altrenogest
850-52-2

Altrenogest

Conditions
ConditionsYield
With chloranil In dichloromethane at 20℃; for 1h; Time;77.3%
17β-hydroxy-17α-propenylestrone-3-one-5,10-diene
23760-34-1

17β-hydroxy-17α-propenylestrone-3-one-5,10-diene

Altrenogest
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;
Trendione
4642-95-9

Trendione

allylmagnesium bromide
1730-25-2

allylmagnesium bromide

Altrenogest
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%
allylmagnesium bromide
2622-05-1

allylmagnesium bromide

Trendione
4642-95-9

Trendione

Altrenogest
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%
ethylene deltenone
5571-36-8

ethylene deltenone

Altrenogest
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
4,9-Androstadiene-3,17-dione
5173-46-6

4,9-Androstadiene-3,17-dione

Altrenogest
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

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

Altrenogest
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

C20H28O3

Altrenogest
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

C23H34O3

Altrenogest
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
3,3-dimethoxy-estra-5(10),9(11)-diene-17-one
10109-76-9

3,3-dimethoxy-estra-5(10),9(11)-diene-17-one

Altrenogest
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
Altrenogest
850-52-2

Altrenogest

altrenogest

altrenogest

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

Altrenogest

propyltrenbolone

propyltrenbolone

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

Altrenogest

C21H21(2)H5O2
1062120-74-4

C21H21(2)H5O2

Conditions
ConditionsYield
With C21H49IrNP2; benzene-d6 at 20℃; for 20h;
1,1,1,3,5,5,5-heptamethyltrisiloxan
1873-88-7

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

Altrenogest
850-52-2

Altrenogest

A

C28H46O4Si3
1454834-22-0

C28H46O4Si3

B

C28H46O4Si3
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

Altrenogest Chemical Properties

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

Altrenogest 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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