tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate


Chemical Name: tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Number: 171049-41-5
Product Number: AG0034DQ(AGN-PC-03JTGM)
Synonyms:
MDL No:
Molecular Formula: C14H20N2O2
Molecular Weight: 248.3208

Identification/Properties


Properties
BP:
394.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
248.326g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
248.152g/mol
Monoisotopic Mass:
248.152g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



7-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline is a versatile compound widely utilized in chemical synthesis as a valuable building block. Its unique structure and reactivity make it particularly useful in the formation of complex organic molecules. One key application of this compound is in the preparation of various pharmaceuticals and biologically active compounds. Its amino group allows for facile derivatization, enabling the modification of its chemical properties to suit specific synthetic needs. Additionally, the Boc (tert-butoxycarbonyl) protecting group provides stability to the amino functionality during various reactions, allowing for selective transformations while maintaining control over regioselectivity. Overall, 7-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline plays a crucial role in modern organic synthesis, enabling the construction of diverse molecular architectures with precision and efficiency.