1-(Oxan-2-yl)pyrazole-5-carbaldehyde


Chemical Name: 1-(Oxan-2-yl)pyrazole-5-carbaldehyde
CAS Number: 957483-88-4
Product Number: AG003F4X(AGN-PC-0WA3YS)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O2
Molecular Weight: 180.2038

Identification/Properties


Properties
Storage:
2-8℃;
Refractive Index:
n20/D 1.531
Computed Properties
Molecular Weight:
180.207g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
180.09g/mol
Monoisotopic Mass:
180.09g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-carbaldehyde is a versatile chemical compound widely used in chemical synthesis for its unique reactivity and capability to introduce functional groups into organic molecules. This compound serves as a valuable building block in the preparation of various heterocyclic compounds and pharmaceutical intermediates. Its application in organic synthesis involves the formation of new carbon-carbon and carbon-nitrogen bonds, making it an essential tool in the creation of complex molecular structures. Additionally, 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-carbaldehyde exhibits excellent regio- and stereo-selectivity, enabling chemists to control the arrangement of atoms in the final product with high precision. Its diverse reactivity and compatibility with a wide range of reaction conditions make it an indispensable component in the toolbox of synthetic chemists seeking to design and develop novel organic molecules with desired properties.