ChemicalBook--->CAS DataBase List--->40805-79-6

40805-79-6

40805-79-6 Structure

40805-79-6 Structure
IdentificationBack Directory
[Name]

5-CYANOPYRIMIDINE
[CAS]

40805-79-6
[Synonyms]

5-CYANOPYRIMIDINE
5-PyriMidinecarbonitrile
Pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile (7CI,9CI)
5-Cyanopyrimidine CAS NO.40805-79-6
5-CYANOPYRIMIDINE ISO 9001:2015 REACH
5-Cyanopyrimidine, 5-Cyano-1,3-diazine
[Molecular Formula]

C5H3N3
[MDL Number]

MFCD00235052
[MOL File]

40805-79-6.mol
[Molecular Weight]

105.1
Chemical PropertiesBack Directory
[Melting point ]

83.5-84 °C(Solv: ethanol (64-17-5))
[Boiling point ]

237.6±13.0 °C(Predicted)
[density ]

1.22±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

0.78±0.10(Predicted)
[color ]

Pale Yellow
Safety DataBack Directory
[Risk Statements ]

36
[Safety Statements ]

26-24/25
[Hazard Note ]

Harmful
[HS Code ]

29335990
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

5-Cyanopyrimidine (cas# 40805-79-6) is a compound useful in organic synthesis.
[Synthesis]

5-PYRIMIDINECARBOXAMIDE

40929-49-5

5-CYANOPYRIMIDINE

40805-79-6

General procedure for the synthesis of 5-cyanopyrimidine from pyrimidine-5-carboxamide: To a suspension of anhydrous dichloromethane (15 mL) containing pyrimidine-5-carboxamide (262 mg, 2.12 mmol) and triethylamine (481 mg, 4.24 mmol) was added slowly and dropwise a solution of trifluoroacetic anhydride (0.36 mL, dissolved in 4 mL of dichloromethane) at 0 °C. The reaction mixture was stirred at 0°C to room temperature for 2 hours. After completion of the reaction, it was quenched with water (2 mL) and the organic layer was washed sequentially with 1N NaOH solution (5 mL) and brine (2 x 5 mL). The organic phase was dried with anhydrous magnesium sulfate and subsequently concentrated under reduced pressure at less than 30 °C to afford the light yellow solid product 5-cyanopyrimidine (174 mg, 78% yield). The product was characterized by 1H NMR (400 MHz, DMSO): δ 9.44 (s, 1H), 9.31 (s, 2H).

[References]

[1] Patent: WO2012/129564, 2012, A2. Location in patent: Page/Page column 79
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 10, p. 3783 - 3805
[3] Journal of Organic Chemistry, 2015, vol. 80, # 5, p. 2676 - 2699
[4] Patent: WO2009/148452, 2009, A1. Location in patent: Page/Page column 71
Spectrum DetailBack Directory
[Spectrum Detail]

5-CYANOPYRIMIDINE(40805-79-6)1HNMR
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