tert-butyl 6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate


Chemical Name: tert-butyl 6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Number: 186390-79-4
Product Number: AG00AOR1(AGN-PC-00PFUH)
Synonyms:
MDL No:
Molecular Formula: C14H18N2O4
Molecular Weight: 278.3037

Identification/Properties


Computed Properties
Molecular Weight:
278.308g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
278.127g/mol
Monoisotopic Mass:
278.127g/mol
Topological Polar Surface Area:
75.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
386
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

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Chemical Structure



The tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate compound finds utility in chemical synthesis as a versatile building block for the creation of various organic molecules. Its unique structure and reactivity allow for its incorporation into complex molecular structures, enabling the synthesis of novel compounds with potentially valuable properties. By serving as a key intermediate in organic synthesis reactions, tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate contributes to the development of diverse chemical compounds with applications ranging from pharmaceuticals to materials science. Its carefully designed molecular framework offers opportunities for chemists to explore new synthetic pathways and expand the realm of organic chemistry possibilities.