b-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate


Chemical Name: b-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate
CAS Number: 27019-47-2
Product Number: AG003VG7(AGN-PC-0R2VTF)
Synonyms:
MDL No:
Molecular Formula: C17H21NO5S
Molecular Weight: 351.4173

Identification/Properties


Properties
MP:
138-139 °C
BP:
547.2°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
351.417g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
351.114g/mol
Monoisotopic Mass:
351.114g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
359
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



H-β-Ala-Obzl.TosOH is a versatile reagent that finds widespread application in chemical synthesis. Due to its unique structure and reactive properties, this compound serves as a valuable building block for the synthesis of various peptide and peptide-mimetic molecules in organic chemistry. The presence of the TosOH (p-toluenesulfonyl) group enhances the reactivity and stability of the molecule, making it particularly useful in peptide coupling reactions.Additionally, the β-Ala (beta-alanine) moiety in H-β-Ala-Obzl.TosOH provides flexibility and conformational control in peptide chain assembly. This feature is crucial for designing and synthesizing peptides with specific structural and functional properties, such as antimicrobial peptides, enzyme inhibitors, or drug candidates.Overall, H-β-Ala-Obzl.TosOH plays a key role in enabling chemists to efficiently construct complex peptide structures and explore diverse chemical space for the development of novel bioactive compounds and pharmaceuticals.