(3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one | CAS No. 4236-73-1

(3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one

Basic Information

CAS Number

4236-73-1

Molecular Formula

C24H37NO2

Molecular Weight

371.57 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

172-178 ºC

CC(=O)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5=C)NC)C)C)O

InChI

InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1

InChIKey

KTASKRCJBXZGMH-WMYNZDBHSA-N

LogP

4.1033000000000035

Topological Polar Surface Area

49.33 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

  • Cyclobuxoxine
  • (3beta,5alpha,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one
  • Buxtauine
  • Buxtauine M
  • Cyclomicrobuxinine
  • Buxtamine

MDL Number

MFCD12407434

FAQ

What are the physical and chemical properties of (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1)?

The compound (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1) is a crystalline solid with a high molecular weight. It exhibits low solubility in water but is more soluble in organic solvents. The compound is chemically stable under normal conditions but can degrade under acidic or basic conditions. It is not reactive towards common reagents and is not prone to hydrolysis or oxidation.

How is (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1) typically synthesized?

(3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1) is typically synthesized via a multi-step process involving methylation, hydroxylation, and ring-opening reactions. Key steps include the use of methylating agents and enzymatic reactions. High purity and selectivity are achieved through careful control of reaction conditions and purification techniques.

What industries use (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1)?

(3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1) is primarily used in the pharmaceutical industry for its potential as a progestin. It may also find applications in the sensor industry due to its hormonal properties and could be used in the development of new materials and biomedical applications.

What precautions should be taken when handling (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1)?

When handling (3beta,5alpha,9beta,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one (CAS: 4236-73-1), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a fume hood to minimize exposure. Spills should be handled carefully with appropriate absorbent materials. The material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed safety guidelines and emergency procedures.

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