Carbamic acid, (4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, (4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number: 116026-95-0
Product Number: AG000BFH(AGN-PC-000MGY)
Synonyms:
MDL No:
Molecular Formula: C11H14N2O3
Molecular Weight: 222.2405

Identification/Properties


Properties
MP:
52-53℃
BP:
310°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.244g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
222.1g/mol
Monoisotopic Mass:
222.1g/mol
Topological Polar Surface Area:
68.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


PNMR/TERT-BUTYL_4-FORMYLPYRIDIN-3-YLCARBAMATE-116026-95-0-hnmr.pdf

Other Analytical Data


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Chemical Structure



The tert-Butyl (4-formylpyridin-3-yl)carbamate is a versatile compound widely used in chemical synthesis for its unique properties. It serves as a valuable building block in the preparation of various organic compounds due to its reactivity and functional group compatibility. In chemical synthesis, tert-Butyl (4-formylpyridin-3-yl)carbamate can be utilized as a key intermediate in the development of pharmaceuticals, agrochemicals, and materials. Its functional groups enable it to participate in a range of transformations, such as acylation, alkylation, and condensation reactions. Furthermore, the presence of the carbamate group in the structure provides an opportunity for further derivatization, allowing for the introduction of additional functionality into the molecule. This flexibility makes tert-Butyl (4-formylpyridin-3-yl)carbamate a valuable tool for chemists involved in the design and synthesis of complex organic compounds.