13788-99-3 Usage
General Description
5-Methyl-1-(4-nitrophenyl)-1H-pyrazole is a chemical compound with the molecular formula C10H9N3O2. It is a pyrazole derivative with a nitrophenyl group attached to the first carbon and a methyl group attached to the fifth carbon. 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole is commonly used in organic synthesis, medicinal chemistry, and pharmaceutical research. It can also act as a ligand for metal ions in coordination chemistry. 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole is known for its potential biological activities, including anti-inflammatory, anticancer, and antimicrobial properties, making it a valuable tool for drug discovery and development.
Check Digit Verification of cas no
The CAS Registry Mumber 13788-99-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,7,8 and 8 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 13788-99:
(7*1)+(6*3)+(5*7)+(4*8)+(3*8)+(2*9)+(1*9)=143
143 % 10 = 3
So 13788-99-3 is a valid CAS Registry Number.
13788-99-3Relevant articles and documents
Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles
Huang, Adrian,Wo, Kellie,Lee, So Yeun Christine,Kneitschel, Nika,Chang, Jennifer,Zhu, Kathleen,Mello, Tatsiana,Bancroft, Laura,Norman, Natalie J.,Zheng, Shao-Liang
, p. 8864 - 8872 (2017/09/11)
A systematic study of the N-substitution reactions of 3-substituted pyrazoles under basic conditions has been undertaken. Regioselective N1-alkylation, -arylation, and -heteroarylation of 3-substituted pyrazoles have been achieved using K2CO3-DMSO. The regioselectivity is justified by the DFT calculations at the B3LYP/6-31G??(d) level. A consistent steric effect on chemical shift has been observed for N-alkyl pyrazole analogues. Twenty-five X-ray crystallographic structures have been obtained to confirm the regiochemistry of the major products.
