3-Pyridinepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-


Chemical Name: 3-Pyridinepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-
CAS Number: 98266-33-2
Product Number: AG00690Y(AGN-PC-0W81SJ)
Synonyms:
MDL No:
Molecular Formula: C13H18N2O4
Molecular Weight: 266.2930

Identification/Properties


Properties
MP:
136.8 °C
BP:
452.9 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6450 (estimate)
Computed Properties
Molecular Weight:
266.297g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
266.127g/mol
Monoisotopic Mass:
266.127g/mol
Topological Polar Surface Area:
88.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
325
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Boc-3-(3-pyridyl)-D-Ala-OH is a key compound commonly utilized in chemical synthesis processes. This compound plays a crucial role in the field of organic chemistry due to its versatile applications and reactivity.One of the primary uses of Boc-3-(3-pyridyl)-D-Ala-OH is as a building block in peptide synthesis. Peptides are essential biomolecules with various biological activities, and the ability to efficiently synthesize and modify peptides is of paramount importance in both academic research and industrial applications. Boc-3-(3-pyridyl)-D-Ala-OH serves as a protected amino acid derivative that can be selectively incorporated into peptide chains using solid-phase peptide synthesis (SPPS) or solution-phase peptide synthesis methods. The Boc (tert-butyloxycarbonyl) protecting group is commonly used to mask the amine functionality during peptide assembly, allowing for controlled and sequential peptide bond formation.Furthermore, Boc-3-(3-pyridyl)-D-Ala-OH can also be employed as a chiral building block in the synthesis of pharmaceutical compounds and bioactive molecules. Chirality is a crucial aspect of drug design and development, as enantiomeric purity often dictates the biological activity and pharmacokinetic properties of a compound. By incorporating the D-Ala moiety into a molecule, researchers can introduce chirality and potentially enhance the selectivity and efficacy of the final product.Overall, the strategic placement of the Boc-3-(3-pyridyl)-D-Ala-OH unit in chemical synthesis enables precise control over molecular structures and functions, making it a valuable tool for synthetic chemists working in diverse areas such as drug discovery, materials science, and biotechnology.