5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthalenylmethyl)amino]-,(5E)-


Chemical Name: 5-Hepten-3-ynoic acid, 2,2-dimethyl-7-[(1-naphthalenylmethyl)amino]-,(5E)-
CAS Number: 99473-15-1
Product Number: AG006NQE(AGN-PC-0W9G04)
Synonyms:
MDL No:
Molecular Formula: C20H21NO2
Molecular Weight: 307.3862

Identification/Properties


Properties
MP:
147-150°C (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
307.393g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
307.157g/mol
Monoisotopic Mass:
307.157g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
494
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The key application of (5E)-2,2-Dimethyl-7-[(1-naphthalenylmethyl)amino]-5-hepten-3-ynoic acid in chemical synthesis lies in its role as a versatile building block for the creation of innovative molecular structures. With its unique chemical structure, this compound serves as a valuable intermediate in the synthesis of complex organic molecules through various reactions such as cross-coupling, Friedel-Crafts acylation, and nucleophilic addition. Additionally, the presence of the alkyne and amino functionalities offers opportunities for further derivatization and functionalization, enabling the synthesis of diversified compounds with tailored properties. This compound provides chemists with a valuable tool for the efficient construction of novel molecules with potential applications in pharmaceuticals, materials science, and other fields of chemical research.