2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(1,1-dimethylethyl) ester, (3R)-


Chemical Name: 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(1,1-dimethylethyl) ester, (3R)-
CAS Number: 115962-35-1
Product Number: AG000H7S(AGN-PC-0P8DOJ)
Synonyms:
MDL No:
Molecular Formula: C15H18NO4-
Molecular Weight: 276.3077

Identification/Properties


Computed Properties
Molecular Weight:
277.32g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
277.131g/mol
Monoisotopic Mass:
277.131g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
388
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, also known as $name$, is a versatile compound commonly employed in chemical synthesis. Its application in organic synthesis revolves around its ability to serve as a chiral building block for the construction of various biologically active molecules and pharmaceutical intermediates. By utilizing this compound, chemists can introduce chirality into target molecules, ultimately influencing the pharmacological properties and interactions of the final products. Moreover, the presence of both a carbamate and carboxylic acid functional group in $name$, allows for further derivatization and modification, enabling the synthesis of diverse compound libraries with potential therapeutic relevance.