(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate | CAS No. 875573-66-3

(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate

Basic Information

CAS Number

875573-66-3

Molecular Formula

C29H43BrO3

Molecular Weight

519.55 g/mol

AD

Basic Physical Properties

Density

1.22

BrCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)OC(=O)C

InChI

InChI=1S/C29H43BrO3/c1-20(31)33-27-14-13-26-28-21(10-8-6-4-3-5-7-9-17-30)18-22-19-23(32)11-12-24(22)25(28)15-16-29(26,27)2/h11-12,19,21,25-28,32H,3-10,13-18H2,1-2H3/t21-,25-,26+,27+,28-,29+/m1/s1

InChIKey

KFPTYJLFIUUHEJ-LIHJZYAESA-N

LogP

7.921800000000009

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
  • (7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate
  • (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11, 12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phena...
  • (7α,17β)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate

MDL Number

MFCD21609270

Customs Code

2915390090

FAQ

What are the physical and chemical properties of (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate (CAS: 875573-66-3)?

The compound has a crystalline form and a molecular weight of approximately 621.23 g/mol. It is slightly soluble in common solvents like dichloromethane and acetonitrile. The compound is reactive towards nucleophiles, particularly bromide ions. It exhibits moderate reactivity in esterification reactions due to the presence of a hydroxyl group.

How is (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate (CAS: 875573-66-3) typically synthesized?

The compound can be synthesized via a multi-step process involving bromination of a precursor, followed by esterification. Commonly used catalysts include titanium tetrachloride. The final product shows high selectivity and yield in the range of 80-90%. Detailed reaction pathways and mechanisms are extensively covered in chemical literature.

What industries use (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate (CAS: 875573-66-3)?

This compound is primarily used in the pharmaceutical industry for the development of advanced drug candidates. It also finds applications in the polymer industry, particularly in the synthesis of novel materials with specific properties. Additionally, it is utilized in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling (7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate (CAS: 875573-66-3)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling the compound. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and reported to a supervisor. The safety data sheet (SDS) should be consulted for detailed handling instructions and emergency procedures.

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