(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | CAS No. 166896-74-8

(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

Basic Information

CAS Number

166896-74-8

Molecular Formula

C23H36N2O2

Molecular Weight

372.55 g/mol

AD

Basic Physical Properties

Melting Point

289-293 ºC

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=O)N4)C

InChI

InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h9,14-17H,6-8,10-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1

InChIKey

IHYQEUFHHYXVFL-FIIPNDBVSA-N

LogP

4.163700000000003

Topological Polar Surface Area

58.2 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

691

Synonyms & References

English

  • N-t-Butyl-3-Oxo-4-Aza-5-Androsten-17beta-Carboxamide
  • NSC674693
  • EX-A1947
  • NCI60_026491
  • (1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
  • 4-Azaandrost-5-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (17)-
  • (4aR,4bS,6aS,7S,9aS,9bS)-N-(1,1-Dimethylethyl)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide
  • 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-
  • CHEMBL1986509
  • SCHEMBL6545719
  • NSC-674693
  • 166896-74-8
  • Finasteride Impurity
  • 17b-(tert-Butylcarbamoyl)-4-aza-5a-androsten-3-one
  • (17beta)-N-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-5-ene-17-carboxamide
  • (1S,3aS,3bS,5aR,9aR,9bS)-N-tert-butyl-9a-methyl-7-oxo-2,3,3a,3b,4,5,5a,6,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
  • N-TERT-BUTYL-3-OXO-4-AZA-5-ANDROSTEN-17Β-CARBOXAMIDE,MIN98.0
  • N-t-Butyl-3-Oxo-4-Aza-5-Androsten-17β-Carboxamide
  • 17β-(t-Butylcarbamoyl)-4-aza-5α-androsten-3-one (F8)
  • 17-beta-(n-butylcarbaMoyl)-4-aza-5-alpha-androsten-3-one
  • FINASTERIDE INTERMEDIATE
  • (4aR,4bS,6aS,7S,9aS,9bS)-N-(tert-butyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

MDL Number

MFCD09038716

FAQ

What are the physical and chemical properties of (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide (CAS: 166896-74-8)?

This compound has a crystalline form with a molecular weight of approximately 612.7 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but reacts with strong acids and bases. The compound exhibits moderate reactivity towards nucleophiles and electrophiles.

How is (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide (CAS: 166896-74-8) typically synthesized?

This compound is typically synthesized through multistep organic reactions, including condensation and cyclization. Commonly, a Friedel-Crafts alkylation followed by a Sonogashira coupling reaction is used. The yield is around 50-60%, and the selectivity is high, ensuring a pure product.

What industries use (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide (CAS: 166896-74-8)?

This compound is primarily used in the pharmaceutical industry for drug development. It also finds applications in the synthesis of organic materials and in the production of certain sensor technologies. Its unique structure makes it useful in the development of new materials and drug candidates.

What precautions should be taken when handling (4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide (CAS: 166896-74-8)?

Proper PPE, including gloves and safety glasses, should be worn when handling this compound. Work should be conducted in a fume hood to minimize exposure. In case of a spill, it should be cleaned up carefully using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...