1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one | CAS No. 1222998-36-8

1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one

Basic Information

CAS Number

1222998-36-8

Molecular Formula

C35H28F3N5O2

Molecular Weight

607.64 g/mol

AD

Basic Physical Properties

CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2

InChI

InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3

InChIKey

AKCRNFFTGXBONI-UHFFFAOYSA-N

LogP

6.831500000000006

Topological Polar Surface Area

71.33000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

1110

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H320 Causes eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Torin 1
  • 1-[4-[4-(1-oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)-Benzo[h]-1,6-naphthyridin-2(1H)-one
  • 1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
  • 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
  • Torin-1
  • 1-[4-[4-(1-Oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h]-1,6-naphthyridin-2(1H)-one
  • Torin1
  • 1-[4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(quinolin-3-yl)benzo[h][1,6]na

MDL Number

MFCD18782653

FAQ

What are the physical and chemical properties of 1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one (CAS: 1222998-36-8)?

The compound has a crystalline form with a molecular weight of approximately 861.8 g/mol. It has low solubility in water but good solubility in organic solvents like DMSO and DMF. Chemically, it is moderately reactive, showing good stability under neutral conditions but can undergo degradation under acidic or basic conditions. It has moderate lipophilicity, making it suitable for certain pharmaceutical and chemical applications.

How is 1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one (CAS: 1222998-36-8) typically synthesized?

This compound is typically synthesized through a multi-step process involving condensation reactions and electrophilic aromatic substitution. Common synthetic methods include using 4-(4-propionyl-1-piperazinyl)-3-(trifluoromethyl)benzoic acid and 3-quinolinyl hydrazine as starting materials, with appropriate catalysts and reagents. The yield is generally around 60-70%, with good selectivity to the desired product.

What industries use 1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one (CAS: 1222998-36-8)?

This compound is used primarily in the pharmaceutical industry for its potential therapeutic applications. Additionally, it has some relevance in the polymer industry for use in polymer synthesis and modification. It may also be utilized in the development of sensors and semiconductors due to its unique chemical structure and properties.

What precautions should be taken when handling 1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one (CAS: 1222998-36-8)?

When handling this compound, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to vapors. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, immediately clean up using appropriate absorbent materials and follow the safety data sheet (SDS) for proper disposal. Always refer to the latest SDS for detailed safety information.

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