ChemicalBook--->CAS DataBase List--->944129-00-4

944129-00-4

944129-00-4 Structure

944129-00-4 Structure
IdentificationBack Directory
[Name]

Methyl 6-amino-2-chloropyrimidine-4-carboxylate
[CAS]

944129-00-4
[Synonyms]

(5-Bromothiophen-8-Yl)BoronicAcid
Phosphorousacid,tris(1,6-dimethylethyl)ester
Methyl 6-amino-2-chloropyrimidine-4-carboxylate
4-Pyrimidinecarboxylicacid,6-amino-2-chloro-,methylester
6-Amino-2-chloro-pyrimidine-4-carboxylic acid methyl ester
[Molecular Formula]

C6H6ClN3O2
[MDL Number]

MFCD14582103
[MOL File]

944129-00-4.mol
[Molecular Weight]

187.58
Chemical PropertiesBack Directory
[Melting point ]

249~251℃
[Boiling point ]

413.2±25.0 °C(Predicted)
[density ]

1.465±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

0.07±0.10(Predicted)
Safety DataBack Directory
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Synthesis]

4-Pyrimidinecarboxylic acid, 2-chloro-6-(methylsulfonyl)-, methyl ester

944128-99-8

Methyl 6-amino-2-chloropyrimidine-4-carboxylate

944129-00-4

Preparation of methyl 6-amino-2-chloropyrimidine-4-carboxylate: Methyl 2-chloro-6-(methylsulfonyl)pyrimidine-4-carboxylate (3.7 g, 14.75 mmol) was dissolved in 1,4-dioxane and a methanol solution of 7 N ammonia was added. The reaction mixture was stirred at room temperature for 3 hours. After completion of the reaction, the mixture was concentrated under reduced pressure and the residue was extracted by partitioning with ethyl acetate and water. The organic phase was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to afford methyl 6-amino-2-chloropyrimidine-4-carboxylate (2.35 g, 85% yield).1H NMR (DMSO-d6): δ 7.6 (br s, 1H), 7.00 (s, 1H), 3.84 (s, 3H), 3.33 (s, 3H).

[References]

[1] Patent: WO2007/82076, 2007, A1. Location in patent: Page/Page column 36-37
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