(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid


Chemical Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CAS Number: 98569-12-1
Product Number: AG0067XS(AGN-PC-0K2UIF)
Synonyms:
MDL No: MFCD00800586
Molecular Formula: C16H21NO4
Molecular Weight: 291.3422

Identification/Properties


Properties
MP:
185-187 °C
BP:
433.35°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
291.347g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
291.147g/mol
Monoisotopic Mass:
291.147g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
415
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P280-P302+P352-P305+P351+P338-P261
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(Boc-amino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid plays a crucial role in chemical synthesis as a versatile building block for the preparation of various organic compounds. This compound is widely utilized in the pharmaceutical industry for the synthesis of potential drug candidates and in academic research for the development of new chemical entities.One of the key applications of 2-(Boc-amino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid is in peptide synthesis. The Boc (tert-butyloxycarbonyl) protecting group on the amino functionality allows for selective deprotection under mild conditions, making it an ideal choice for the solid-phase peptide synthesis. By incorporating this compound into peptide sequences, chemists can control the stereochemistry and regioselectivity of peptide bond formation, enabling the production of complex peptide structures with high purity and efficiency.Furthermore, the tetrahydronaphthalene moiety in 2-(Boc-amino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid provides a rigid and hydrophobic scaffold that can influence the conformation and biological activity of the synthesized molecules. This structural feature is particularly valuable in medicinal chemistry for designing novel drug candidates with improved pharmacokinetic properties and target specificity.In summary, 2-(Boc-amino)-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid serves as a valuable tool in chemical synthesis, offering chemists a versatile platform for the creation of diverse organic molecules with tailored properties and functionalities.