ChemicalBook--->CAS DataBase List--->931-61-3

931-61-3

931-61-3 Structure

931-61-3 Structure
IdentificationBack Directory
[Name]

2-Pyrimidinamine, N-methyl- (9CI)
[CAS]

931-61-3
[Synonyms]

NSC 102272
N-Methyl-2-pyrimidinamine
methyl(pyrimidin-2-yl)amine
2-PyriMidinaMine, N-Methyl-
2-Pyrimidinamine, N-methyl- (9CI)
2-Pyrimidinamine, N-methyl- (9CI) ISO 9001:2015 REACH
[Molecular Formula]

C5H7N3
[MDL Number]

MFCD00234126
[MOL File]

931-61-3.mol
[Molecular Weight]

109.13
Chemical PropertiesBack Directory
[Melting point ]

60-62℃
[Boiling point ]

216℃
[density ]

1.144
[Fp ]

85℃
[storage temp. ]

2-8°C(protect from light)
[form ]

Solid
[pka]

3.90±0.10(Predicted)
[Appearance]

White to yellow Solid
[InChI]

InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)
[InChIKey]

BQNXHDSGGRTFNX-UHFFFAOYSA-N
[SMILES]

C1(NC)=NC=CC=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pyrimidinamine, N-methyl- (9CI)(931-61-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Chloropyrimidine

1722-12-9

Methylamine

74-89-5

2-Pyrimidinamine, N-methyl- (9CI)

931-61-3

Step 1: Synthesis of N-methylpyrimidin-2-amine To a solution of 2-chloropyrimidine (1 g, 8.7 mmol) in methanol (10 mL) was slowly added a methanolic solution of 2Methylamine (13.2 mL, 26.2 mmol) followed by potassium carbonate (2.5 g, 18 mmol). The reaction flask was sealed and the reaction was stirred at 80 °C overnight. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated by rotary evaporator to remove volatile solvents. The residue was extracted by liquid-liquid partition with distilled water and dichloromethane. The organic layer was separated, dried over anhydrous sodium sulfate, filtered and concentrated to give 2-methylaminopyrimidine (290 mg, 30% yield) as a brown oil.

[References]

[1] Bulletin of the Chemical Society of Japan, 1998, vol. 71, # 8, p. 1973 - 1991
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 17, p. 6626 - 6637
[3] Molecules, 2004, vol. 9, # 7, p. 520 - 526
[4] Patent: WO2011/71716, 2011, A1. Location in patent: Page/Page column 99
[5] Journal of the American Chemical Society, 1954, vol. 76, p. 1065,1067
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