N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threonine
[CAS# 86748-77-8]

Identification

• Name: N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-threonine
• Synonyms: (2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid; (2S,3R)-2-(tert-Butoxycarbonylamino)-3-hydroxybutanoic acid; (2S,3R)-2-[(tert-butoxy)carbonylamino]-3-hydroxybutanoic acid
• Molecular Formula: C₉H₁₇NO₅
• Molecular Weight: 219.24
• CAS Registry Number: 86748-77-8
• SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)O
• InChI: 1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)/t5-,6+/m1/s1
• InChIKey: LLHOYOCAAURYRL-RITPCOANSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 84°C (Expl.)
• Boiling point: 387.1±37.0°C at 760 mmHg (Cal.)
• Flash point: 187.9±26.5°C (Cal.)
• solubility: 1 mmole in 2 ml DMF clearly soluble

Safety Data

• Safety Description: IRRITANT

References

• (1): I. Bryndal and T. Lis. Dicyclohexylaminium N-(tert-butoxycarbonyl)-L-threoninate: a monoclinic structure with Z' = 4, Acta Cryst. (2007). E63, o1444-o1447