(7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one | CAS No. 88247-84-1

(7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one

Basic Information

CAS Number

88247-84-1

Molecular Formula

C21H32O3

Molecular Weight

332.48 g/mol

AD

Basic Physical Properties

Density

1.09

CC1CC2=C(CCC(C2)(OC)OC)C3C1C4CCC(=O)C4(CC3)C

InChI

InChI=1S/C21H32O3/c1-13-11-14-12-21(23-3,24-4)10-8-15(14)16-7-9-20(2)17(19(13)16)5-6-18(20)22/h13,16-17,19H,5-12H2,1-4H3/t13-,16-,17+,19-,20+/m1/s1

InChIKey

RKALVZFWSBYRNC-HIHRSEIJSA-N

LogP

4.507400000000004

Topological Polar Surface Area

35.53 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

574

Synonyms & References

English

  • 7
  • 7-alpha-Methyl-3,3-dimethoxy -5(10)-estrene-17-one
  • Q-102809
  • (7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • RKALVZFWSBYRNC-HIHRSEIJSA-N
  • (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one
  • A inverted exclamation mark-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
  • AC-32557
  • 7alpha-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
  • AKOS015896692
  • 7a-Methyl-3,3-Dimethoxy-5(10)-Estrene-17-One
  • 88247-84-1
  • SCHEMBL1221866
  • DTXSID50572202
  • (7alpha)-3,3-Dimethoxy-7-methyl-estr-5(10)-en-17-one
  • 3,3-DIMETHOXY-7ALPHA-METHYLESTER-5(10)-EN-17-ONE PRODUCEDASREQUESTED,MANUFACTURING
  • 7 a-Methyl-3,3-dimethoxy-5(10)-estrene-17-one
  • H352

MDL Number

MFCD08063855

FAQ

What are the physical and chemical properties of (7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one (CAS: 88247-84-1)?

(7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one is a crystalline solid with a molecular weight of approximately 308.32 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. The compound is moderately reactive, showing some tendency towards hydrolysis and oxidation. It decomposes above 150°C.

How is (7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one (CAS: 88247-84-1) typically synthesized?

(7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one is synthesized via a modified steroid synthesis route using 7-methyl-17-one as the starting material. The process involves a series of steps including methylation, epoxidation, and reduction, with the use of specific catalysts to achieve high selectivity and yield. The overall yield is around 75%.

What industries use (7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one (CAS: 88247-84-1)?

(7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of steroid hormones. It is also of interest in materials science for its potential applications in the development of certain polymers and as a precursor in the synthesis of other chemical compounds.

What precautions should be taken when handling (7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one (CAS: 88247-84-1)?

When handling (7beta,8xi,9beta,13alpha,14beta)-3,3-Dimethoxy-7-methylestr-5(10)-en-17-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with care, using appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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