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1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione | CAS No. 764667-65-4

1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione

Basic Information

Chemical_Structure_Of
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CAS Number

764667-65-4

Molecular Formula

C16H12F6N4O2

Molecular Weight

406.29 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

82-84°C

Boiling Point

513.902°C at 760 mmHg

SMILES

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C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F

InChI

InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

InChIKey

QAEDTLFWHIEVPK-UHFFFAOYSA-N

LogP

2.2583

Topological Polar Surface Area

68.09 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

606

Safety Information

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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
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one?
  • 7-(1,3-DIOXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)-3-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZINE
  • 1,3-Butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-
  • DS-13885
  • 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-alpha]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
  • (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
  • SCHEMBL214373
  • 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-ONE
  • Sitagliptin keto amide
  • Sitagliptin Impurity 13
  • F20432
  • 7-(1,3-dioxo-4-(2,4,5-trifluorophenyl)-butyl)-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
  • AC-22606
  • PROSITAGLIPTIN KETONE
  • 1-(3-(Trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
  • DTXSID50432418
  • (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
  • CID 9887588
  • CS-0165427
  • BCP9000168
  • AM20090689
  • 764667-65-4
  • CZZ5UJ9MJ6
  • MFCD11111443
  • 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
  • AKOS015918077
  • 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione
  • NS00008157
  • 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione
  • BCP22636
  • 1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTANE-1,3-DIONE

MDL Number

MFCD11111443

Customs Code

2933990090

FAQ

What is 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione (CAS: 764667-65-4)?
1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione (CAS: 764667-65-4) is a synthetic organic compound containing trifluoromethyl and trifluorophenyl groups linked to a triazolopyrazine ring. It is characterized by its high fluorine content and potential reactivity, making it relevant in pharmaceutical and chemical research. Its molecular structure includes a 1,3-butanedione backbone with substituted aromatic and heterocyclic rings, contributing to its unique chemical properties.

What are the main uses of 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione (CAS: 764667-65-4)?
This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development, particularly in anti-inflammatory and antiviral applications. It also serves as an intermediate in chemical synthesis for creating fluorinated derivatives. Due to its complex structure, it is studied for applications in medicinal chemistry and materials science, though specific industrial or commercial uses are not widely documented.

Is 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione (CAS: 764667-65-4) safe?
Safety of this compound depends on exposure conditions and handling practices. While it is not classified as highly toxic, it requires proper protective measures such as gloves, goggles, and ventilation during handling. Adherence to standard chemical safety protocols is essential. Its potential reactivity and fluorine content necessitate careful storage and use to avoid health or environmental risks. Always consult safety data sheets (SDS) for specific guidelines.

How should 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione (CAS: 764667-65-4) be stored?
This compound should be stored in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container with desiccant to prevent moisture exposure. Avoid contact with light and air to preserve its chemical integrity. Storage at temperatures below 25°C is recommended, and it should be handled in a well-ventilated area to ensure safety. Proper labeling and storage conditions are critical for its shelf life and handling.

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Supplier Information

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CAS Number: 764667-65-4

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1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione — Jiangsu Keben Pharmaceutical Co., Ltd.

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1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione — HuBeiAnAo Biotechnology Co Ltd

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