879900-25-1

Basic information

• Product Name: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-
• Synonyms: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-
• CAS NO: 879900-25-1
• Molecular Formula: C8H6N4
• Molecular Weight: 158.16
• Mol File: 879900-25-1.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-(879900-25-1)
• EPA Substance Registry System: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-methyl-(879900-25-1)

Safety Data

• Hazardous Substances Data: 879900-25-1(Hazardous Substances Data)

Upstream product

• 2802-08-6 (E)-4-(dimethylamino)but-3-en-2-one 
• 16617-46-2 3-amino-4-cyano-2H-pyrazole 

Relevant articles and documents

Synthesis, bioactivities, and X-ray structure analysis of 2-cyano-5-methylpyrazolo[1,5-a]pyrimidine

The title compound crystallizes in the monoclinic space group P2 1/c with unit cell parameters a = 3.8380(12), b = 11.994(4), and c = 16.245(5) A, β = 90.743(5)°, V = 747.7(4) A3, and Z = 4. The final reliability index is 0.0409 for 1088 observed reflections. All the non-hydrogen atoms in the title compound are almost coplanar, the largest deviation from the mean plane being 0.030(2) A for atom C5. The crystal cohesion is accentuated by C-H...N hydrogen bond. The X-ray crystallography analysis indicates that the methyl group is at the 5-position of the compound 4 rather than at the 7-position of the isomer 4-1. The preliminary biological test shows that the title compound has moderate herbicidal activity.