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CAS No.: | 362661-83-4 |
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Name: | PYRAZOLO[1,5-A]PYRIDINE-7-CARBALDEHYDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H6N2O |
Molecular Weight: | 146.148 |
Synonyms: | PYRAZOLO[1,5-A]PYRIDINE-7-CARBALDEHYDE;Pyrazolo[1,5-a]pyridine-7-carboxaldehyde (9CI);Pyrazolo[1,5-α]pyridine-7-carboxaldehyde |
Density: | 1.24 g/cm3 |
Melting Point: | 83-86°C |
Hazard Symbols: | Xn |
Risk Codes: | 22-38-43 |
Safety: | 36/37 |
PSA: | 34.37000 |
LogP: | 1.14680 |
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The Pyrazolo[1,5-a]pyridine-7-carboxaldehyde has CAS registry number 362661-83-4. It belongs to the product category of Aldehyde. This chemical's molecular formula is C8H6N2O and molecular weight is 146.15. What's more, its systematic name is pyrazolo[1,5-a]pyridine-7-carbaldehyde.
Physical properties of Pyrazolo[1,5-a]pyridine-7-carboxaldehyde are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.03; (6)ACD/BCF (pH 7.4): 4.03; (7)ACD/KOC (pH 5.5): 94.32; (8)ACD/KOC (pH 7.4): 94.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 42.17 cm3; (15)Molar Volume: 116.9 cm3; (16)Polarizability: 16.71×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.24 g/cm3.
Preparation: this chemical can be prepared by pyrazolo[1,5-a]pyridine and formic acid ethyl ester at the temperature of -78°C. This reaction will need reagent n-BuLi and solvent tetrahydrofuran with the reaction time of 0.5 hour. The yield is about 86%.
Uses of Pyrazolo[1,5-a]pyridine-7-carboxaldehyde: it can be used to produce 7-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine at the temperature of 20°C. It will need reagent Na(OAc)3BH and solvent CH2Cl2 with the reaction time of 16 hours. The yield is about 87%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cccc1ccnn12
(2)Std. InChI: InChI=1S/C8H6N2O/c11-6-8-3-1-2-7-4-5-9-10(7)8/h1-6H
(3)Std. InChIKey: SGNBVQKSJWCGOJ-UHFFFAOYSA-N