(17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate

Basic Information

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CAS Number

1255-49-8

Molecular Formula

C28H36O3

Molecular Weight

420.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

497.74°C (rough estimate)

Flash Point

233.3°C

Refractive Index

1.5460 (estimate)

SMILES

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CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35C

InChI

InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1

InChIKey

HHSXYDOROIURIP-FEZCWRLCSA-N

LogP

6.062900000000007

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

747

Synonyms & References

English

Testanon 50 (TN)
TESTOSTERONE PHENYL PROPIONATE
NSC-26643
NSC26643
Testosterone 17-Phenylpropionate (1mg/ml in Acetonitrile)
EINECS 215-014-4
17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate
Testosterone 17beta-phenpropionate
DS-5641
CHEBI:35002
Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17-beta)-
W-108401
DTXSID5048712
17.BETA.-HYDROXYANDROST-4-EN-3-ONE 3-PHENYLPROPIONATE
AKOS015895428
UNII-8GN84GWX51
1255-49-8
SCHEMBL940358
TESTOSTERONE PHENYLPROPIONATE [MART.]
3-Oxoandrost-4-en-17-yl 3-phenylpropanoate #
DTXCID8028638
CHEMBL2356993
Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17.beta.)-
Testosterone phenylpropionate
3-OXOANDROST-4-EN-17.BETA.-YL 3-PHENYLPROPIONATE
Tox21_113116
AM84364
Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17?)-
A805391
Retandrol
Testolent

MDL Number

MFCD00056484

FAQ

What are the physical and chemical properties of (17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate (CAS: 1255-49-8)?

(17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate is a colorless to light yellow crystalline solid with a molecular weight of approximately 338.39 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong acids or bases. It is used in pharmaceutical applications and has a melting point of around 80-82°C.

How is (17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate (CAS: 1255-49-8) typically synthesized?

(17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate can be synthesized through a series of reactions starting from androst-4-ene. The key steps include hydroxylation, alkylation, and acylation. The synthesis typically involves the use of a phase transfer catalyst and requires careful control of pH and temperature to ensure high yield and selectivity. The overall yield is around 70-80%.

What industries use (17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate (CAS: 1255-49-8)?

(17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various hormone-related drugs. It is also utilized in the production of certain sensors and semiconductors. Its application in polymers for specific functional properties is less common but still exists.

What precautions should be taken when handling (17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate (CAS: 1255-49-8)?

When handling (17beta)-3-Oxoandrost-4-en-17-yl 3-phenylpropanoate, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spills, immediately clean up using appropriate absorbent materials and wash the area with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.