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Home/Compounds/Pharmaceutical Intermediate/(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
C16H12F6N4O2
406.28 g/mol
Pharmaceutical Intermediate

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

CAS764667-65-4EC619-997-4
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate

This compound is a pharmaceutical intermediate featuring a complex heterocyclic structure with trifluoromethyl and trifluorophenyl substituents. It is primarily used in the synthesis of active pharmaceutical ingredients.

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

SimilarStructure SimilarSimilarity 0.78

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

CAS1253056-15-3

pharmaceutical intermediate

ReferenceSame Category

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pharmaceutical intermediate

ReferenceSame Category

2-methyl-1,3-cyclopentanedione

CAS765-69-5

pharmaceutical intermediate

ReferenceSame Category

Methyl 3,3-diphenyloxirane-2-carboxylate

CAS76527-25-8

pharmaceutical intermediate

ReferenceSame Category

Tert-butyl Piperazine-1-carboxylate Hydrochloride

CAS76535-74-5

pharmaceutical intermediate

Customs Tariff Classification

The international HS code for 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 (CAS 764667-65-4) is 2933.59.

HS code (international, 6-digit)

2933.59

EU CN code (8-digit)

2933 59 95

Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.

Identifiers
IUPAC Name

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

InChIKey

QAEDTLFWHIEVPK-UHFFFAOYSA-N

SMILES

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

Synonyms (18)
  • PROSITAGLIPTIN KETONE
  • Sitagliptin Impurity 13
  • Sitagliptin Impurity J
  • Sitagliptin keto amide
  • rac-Sitagliptin 3-Ketone

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