(2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one

Basic Information

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CAS Number

767340-03-4

Molecular Formula

C16H13F6N5O

Molecular Weight

405.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

178-180°C

Boiling Point

555.1°C at 760 mmHg

Density

1.6

Flash Point

555.1 °C at 760 mmHg

Refractive Index

1.59

SMILES

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

InChI

InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2/b9-5-

InChIKey

RLSFDUAUKXKPCZ-UITAMQMPSA-N

LogP

2.1416999999999997

Topological Polar Surface Area

77.04 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

617

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
AKOS015918104
(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)but-2-en-2-amine
(2Z)4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-alpha]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
2-BUTEN-1-ONE, 3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, (2Z)-
(Z)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
847445-81-2
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin
BCP12221
(2Z)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one
2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2Z)-
A855356
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifl
(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)BUT-2-EN-2-AMINE
C16H13F6N5O
-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-amine
Sitagliptin enamine
(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)but-2-en-2-amine
DTXSID301103416
UNII-DC8PXU74K8
(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)but-2-En-2
(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)but-2-en-2-amine
(Z)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one
(2Z)-3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-2-BUTEN-1-ONE
IRONSACCHARATE
(2Z)-4-Oxo-4-[3-(trifluoroMe)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluoroPh)but-2-en-2-amine
(2Z)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]
SCHEMBL1136099
(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)but-2-en-2-amine
DC8PXU74K8
EC 616-378-0

MDL Number

MFCD12031551

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one (CAS: 767340-03-4)?

This compound is subject to various regulatory guidelines, including the Classification, Labeling, and Packaging Regulation (CLP) under the European Union’s REACH regulations, as well as the Toxic Substances Control Act (TSCA) and the Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) in the United States. The compound should be classified as a hazardous substance due to its chemical structure. Specific handling and disposal procedures must comply with local and international regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS).

Are there alternatives to (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one in synthesis?

While (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one is a specific compound, similar structures such as analogs and isomers can serve as alternatives. Common alternatives include the use of other amino derivatives or different fluorophenyl groups. Researchers may opt for alternative reagents like trifluoromethylbenzylamine or different isomers of related compounds to achieve similar functional properties.

What is the market or research trend for (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one (CAS: 767340-03-4)?

The market and research trends for (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one are closely tied to its applications in medicinal chemistry and pharmaceutical research. There is a growing interest in developing new drugs with specific pharmacological activities, which drives the demand for such specialized compounds. Additionally, advancements in synthetic chemistry and computational methods are enhancing the ability to design and synthesize these complex molecules.

How should waste containing (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one (CAS: 767340-03-4) be handled?

Waste containing (2Z)-3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one should be handled with caution due to its potential hazardous nature. Waste collection should be done in sealed containers, and the waste should be properly labeled with the CAS number (767340-03-4). Incineration or professional disposal services are recommended for safe destruction. Environmental protection measures should include minimizing the release of contaminants into the environment, and appropriate use of personal protective equipment during handling and disposal operations.