ChemicalBook--->CAS DataBase List--->1192711-37-7

1192711-37-7

1192711-37-7 Structure

1192711-37-7 Structure
IdentificationBack Directory
[Name]

2-Chloro-4-(Cyclopropylamino)Pyrimidine-5-Carboxylic Acid
[CAS]

1192711-37-7
[Synonyms]

2-Chloro-4-(Cyclopropylamino)Pyrimidine-5-Carboxylic Acid
5-Pyrimidinecarboxylic acid, 2-chloro-4-(cyclopropylamino)-
[Molecular Formula]

C8H8ClN3O2
[MDL Number]

MFCD24499915
[MOL File]

1192711-37-7.mol
[Molecular Weight]

213.62
Chemical PropertiesBack Directory
[Boiling point ]

487.1±30.0 °C(Predicted)
[density ]

1.654±0.06 g/cm3(Predicted)
[storage temp. ]

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

0.88±0.36(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-4-(Cyclopropylamino)Pyrimidine-5-Carboxylic Acid(1192711-37-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

ethyl 2-chloro-4-(cyclopropylamino)pyrimidine-5-carboxylate

1192711-36-6

2-Chloro-4-(Cyclopropylamino)Pyrimidine-5-Carboxylic Acid

1192711-37-7

The general procedure for the synthesis of 2-chloro-4-(cyclopropylamino)pyrimidine-5-carboxylic acid using the compound (CAS:1192711-36-6) as a starting material was as follows: first, ethyl ester 1.5 (6.02 g, 24 mmol) was dissolved in 1,4-dioxane (26 mL), followed by the addition of an aqueous lithium hydroxide solution (1.0 M, 26 mL, 26 mmol). The reaction mixture was stirred at room temperature until all starting materials were completely converted to carboxylic acids. Next, the reaction mixture was diluted with water to a total volume of 100 mL and acidified with 6 M hydrochloric acid to pH=2. After acidification, the solids in the resulting suspension were collected by filtration and dried by suction drying to give 3.51 g of the carboxylic acid product in 64% yield. The structure of the product was confirmed by 1H NMR (DMSO-d6, 400 MHz) with chemical shifts of δ 8.64 (d, 1H), 8.74 (s, 1H), 4.50 (m, 1H), 2.31 (m, 2H), 2.03 (m, 2H), 1.72 (m, 2H), respectively.

[References]

[1] Patent: WO2009/131687, 2009, A2. Location in patent: Page/Page column 102
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