tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate | CAS No. 624734-26-5

tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

Basic Information

CAS Number

624734-26-5

Molecular Formula

C14H17F3N2O2

Molecular Weight

302.3 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O2/c1-13(2,3)21-12(20)19-5-4-11-9(8-19)6-10(7-18-11)14(15,16)17/h6-7H,4-5,8H2,1-3H3

InChIKey

MSYVHAWMHWYFEB-UHFFFAOYSA-N

LogP

3.393600000000002

Topological Polar Surface Area

42.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

393

Synonyms & References

English

  • tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
  • tert-butyl 3-(trifluoroMethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
  • tert-butyl 3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
  • 6-(tert-butoxycarbonyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
  • AGN-PC-0CMQ97
  • KB-80888
  • N-(tert-butoxycarbonyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
  • SureCN2211825
  • tert-Butyl3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
  • AKOS015924609
  • C14H17F3N2O2
  • DTXSID00730491
  • t-Butyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
  • tert-butyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
  • MFCD11521596
  • 624734-26-5
  • F12792
  • SCHEMBL2211825
  • 6-(tert-Butoxycarbonyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
  • DA-04305
  • CS-0005904
  • BS-29086

MDL Number

MFCD11521596

FAQ

What are the physical and chemical properties of tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate (CAS: 624734-26-5)?

The compound tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate is a white solid with a molecular weight of approximately 358.36 g/mol. It has low water solubility and is soluble in organic solvents like DMSO and DMF. The compound is known for its low reactivity under normal conditions but can undergo hydrolysis in the presence of strong acids or bases. It displays significant spectroscopic activity, including in UV-Vis and NMR spectroscopy.

How is tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate (CAS: 624734-26-5) typically synthesized?

tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate can be synthesized via an esterification reaction of 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylic acid with tert-butyl alcohol in the presence of a catalytic amount of a strong acid like trifluoroacetic acid. The reaction typically yields a high percentage of the target compound with good selectivity.

What industries use tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate (CAS: 624734-26-5)?

tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate is primarily used in pharmaceutical research and development due to its potential as a drug candidate. It is also of interest in the polymer industry for its potential as a cross-linking agent, and in the sensor industry for its reactivity with specific analytes.

What precautions should be taken when handling tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate (CAS: 624734-26-5)?

When handling tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation of any vapors. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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