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1993-63-1

1993-63-1 Structure

1993-63-1 Structure
IdentificationBack Directory
[Name]

2-Methoxy-5-fluoro-4-aminopyrimidine
[CAS]

1993-63-1
[Synonyms]

5-Fluoro-2-methoxy-4-pyrimidinamine
5-Fluoro-2-MethoxypyriMidin-4-aMine
4-Pyrimidinamine, 5-fluoro-2-methoxy
2-Methoxy-5-fluoro-4-aminopyrimidine
4-AMINO-5-FLUORO-2-METHOXYPYRIMIDINE
5-Fluoro-2-methoxy-pyrimidin-4-ylamine
4-Amino-5-fluoro-2-methoxypyrimidine >
4-Pyrimidinamine, 5-fluoro-2-methoxy- (9CI)
2-Methoxy-5-fluoro-4-aminopyrimidine ISO 9001:2015 REACH
2-methoxy-5-fluoro-4-aminopyrimidine (intermediate of flucytosine)
[EINECS(EC#)]

233-515-6
[Molecular Formula]

C5H6FN3O
[MDL Number]

MFCD09264289
[MOL File]

1993-63-1.mol
[Molecular Weight]

143.119
Chemical PropertiesBack Directory
[Melting point ]

193 °C
[Boiling point ]

278.9±43.0 °C(Predicted)
[density ]

1.345±0.06 g/cm3(Predicted)
[storage temp. ]

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

powder to crystal
[pka]

3.63±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C5H6FN3O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
[InChIKey]

BYALTIIVASWNSY-UHFFFAOYSA-N
[SMILES]

C1(OC)=NC=C(F)C(N)=N1
[CAS DataBase Reference]

1993-63-1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

2-Methoxy-5-fluoro-4-aminopyrimidine is an intermediate of fluorocytosine.
[Synthesis]

4-CHLORO-5-FLUORO-2-METHOXYPYRIMIDINE

1801-06-5

2-Methoxy-5-fluoro-4-aminopyrimidine

1993-63-1

General procedure for the synthesis of 5-fluoro-2-methoxy-4-fluoropyrimidinamine using 2-methoxy-4-chloro-5-fluoropyrimidine as starting material: 32.5 g of 2-methoxy-4-chloro-5-fluoropyrimidine (compound of formula III) was added to 170 g of a 10 wt% solution of isopropanol in ammonia, heated to 40-60 °C, and the reaction was stirred for 3-5 hours. After completion of the reaction, it was naturally cooled to room temperature and the solid product was collected by filtration. The solid was washed with isopropanol and dried to give 27.2 g of 5-fluoro-2-methoxy-4-pyrimidinamine (compound of formula II, white solid) in 95.0% molar yield and 99.0% HPLC purity.

[References]

[1] Patent: CN105272922, 2016, A. Location in patent: Paragraph 0038; 0039; 0040
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methoxy-5-fluoro-4-aminopyrimidine(1993-63-1)1HNMR
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