3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride


Chemical Name: 3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
CAS Number: 145307-34-2
Product Number: AG001KS5(AGN-PC-00SFI7)
Synonyms:
MDL No: MFCD03107804
Molecular Formula: C20H28ClNO3
Molecular Weight: 365.8942

Identification/Properties


Computed Properties
Molecular Weight:
365.898g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
365.176g/mol
Monoisotopic Mass:
365.176g/mol
Topological Polar Surface Area:
75.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
454
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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Chemical Structure



As a professional chemist, I can explain the application of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-2-benzopyran-5,6-diol hydrochloride (1:1) in chemical synthesis. This compound can serve as a versatile building block in organic synthesis due to its unique structural features and functional groups. Specifically, the aminomethyl group can participate in various synthetic reactions such as reductive amination, nucleophilic addition, and amide bond formation.Moreover, the tricyclic backbone of the molecule provides rigidity and stereochemical control, making it a valuable scaffold for synthesizing complex molecules with specific spatial arrangements. The presence of the benzopyran moiety further adds pharmacophoric properties, enabling the design and synthesis of bioactive compounds or drug candidates.Overall, the (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-2-benzopyran-5,6-diol hydrochloride (1:1) compound offers synthetic chemists a versatile tool for constructing diverse molecular architectures and exploring new chemical space in drug discovery, materials science, and other research areas.