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1513-69-5

1513-69-5 Structure

1513-69-5 Structure
IdentificationMore
[Name]

2-AMINO-4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE
[CAS]

1513-69-5
[Synonyms]

2-AMINO-4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE
2-AMINO-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL
BUTTPARK 44\01-64
IFLAB-BB F2124-0886
2-Amino-6-(trifluoromethyl)-4-pyrimidinol
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine 97%
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine97%
2-Amino-4-hydroxy-6-(trifluoromethyl)uracil
[EINECS(EC#)]

623-897-6
[Molecular Formula]

C5H4F3N3O
[MDL Number]

MFCD00068093
[Molecular Weight]

179.1
[MOL File]

1513-69-5.mol
Questions And AnswerBack Directory
[Synthesis]

Using ethyl trifluoroacetoate and guanidine nitrate as starting materials, a pyrimidine ring was formed under alkaline conditions to prepare the target compound 2-amino-4-hydroxy-6-(trifluoromethyl)pyrimidine [1]. The synthetic reaction formula of 2-amino-4-hydroxy-6-(trifluoromethyl)pyrimidine is shown in the figure below:

Synthesis of 1513-69-5


[Uses]

2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine is a pyrimidine derivative that can be used as a pharmaceutical intermediate.
Chemical PropertiesBack Directory
[Melting point ]

289.5-293.5 °C (lit.)
[Boiling point ]

187.0±50.0 °C(Predicted)
[density ]

1.75±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder
[pka]

6.98±0.50(Predicted)
[color ]

White
[BRN ]

3608100
[InChI]

1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
[InChIKey]

ZEPSVMLZBXDPGU-UHFFFAOYSA-N
[SMILES]

Nc1nc(O)cc(n1)C(F)(F)F
[CAS DataBase Reference]

1513-69-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE(1513-69-5)1HNMR
2-AMINO-4-HYDROXY-6-(TRIFLUOROMETHYL)PYRIMIDINE(1513-69-5)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine, 97%(1513-69-5)
[Sigma Aldrich]

1513-69-5(sigmaaldrich)
Hazard InformationBack Directory
[General Description]

Optimized molecular geometry, force constants and vibrational frequencies of 2-amino-4-hydroxy-6-trifluoromethylpyrimidine (AHFMP) have been evaluated by density functional theory (DFT).
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