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851984-15-1

851984-15-1 Structure

851984-15-1 Structure
IdentificationBack Directory
[Name]

4-Amino-6-chloro-5-fluoropyrimidine
[CAS]

851984-15-1
[Synonyms]

6-Chloro-5-fluoropyrimidin-4-amine
5-Amino-6-chloro-5-fluoropyrimidine
4-chloro-5-fluoro-6-aminopyrimidine
4-Amino-6-chloro-5-fluoropyrimidine
6-Chloro-5-fluoropyrimidine-4-amine
4-Pyrimidinamine, 6-chloro-5-fluoro-
4-Amino-6-chloro-5-fluoropyrimidine ISO 9001:2015 REACH
[Molecular Formula]

C4H3ClFN3
[MDL Number]

MFCD14706712
[MOL File]

851984-15-1.mol
[Molecular Weight]

147.54
Chemical PropertiesBack Directory
[Boiling point ]

275.2±35.0℃ (760 Torr)
[density ]

1.564±0.06 g/cm3 (20 ºC 760 Torr)
[Fp ]

120.3±25.9℃
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

0.27±0.10(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
[InChIKey]

FEIFDRDCVMVUJA-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=C(F)C(N)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

24/25
[HazardClass ]

IRRITANT-HARMFUL, AVOID SKIN CONTACT
[HS Code ]

29335990
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-6-chloro-5-fluoropyrimidine(851984-15-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

4,6-Dichloro-5-fluoropyrimidine

213265-83-9

4-Amino-6-chloro-5-fluoropyrimidine

851984-15-1

General procedure for the synthesis of 4-amino-6-chloro-5-fluoropyrimidine from 4,6-dichloro-5-fluoropyrimidine: 4,6-dichloro-5-fluoropyrimidine (1.67 g, 10.0 mmol), n-butanol (6 mL), and 28% aqueous ammonium hydroxide (12 mL) were added to a sealed tube and mixed well. The reaction mixture was heated at 90 °C for 2 hours. After completion of the reaction, it was cooled to room temperature and the precipitated white crystals were collected by filtration to afford the target product 4-amino-6-chloro-5-fluoropyrimidine (1.31 g, 89% yield). The product was analyzed by LC-MS (ESI), m/z: 147.9 [M+H]+.

[References]

[1] Patent: WO2012/35039, 2012, A1. Location in patent: Page/Page column 108-109
[2] Patent: US2009/36419, 2009, A1. Location in patent: Page/Page column 44
[3] Patent: WO2013/185082, 2013, A2. Location in patent: Page/Page column 47
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