Boc-L-aspartic acid 4-methyl ester

CAS Number: 59768-74-0

Molecular Formula: C10H17NO6

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About Boc-L-aspartic acid 4-methyl ester

Boc-Asp(OMe)-OH (CAS 59768-74-0) is a critical protected amino acid derivative widely utilized within the API intermediates market for the synthesis of complex peptides and glycopeptides. As a trusted bulk chemical supplier, we recognize that the rising demand for personalized medicine has led CDMOs to favor high-purit...

Synonyms

Boc-Asp(OMe)-OH
59768-74-0
Boc-L-aspartic acid 4-methyl ester
(S)-2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid
(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

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Boc-L-aspartic acid 4-methyl ester Specifications

CAS Number

59768-74-0

Molecular Formula

C10H17NO6

Molecular Weight

247.25 g/mol

IUPAC Name

(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Canonical SMILES

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)O

InChI Key

WFPSMPYVXFVVFA-LURJTMIESA-N

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1

MDL Number

MFCD00059232

HSN No

29241990

CAS Number

59768-74-0

Molecular Formula

C10H17NO6

Molecular Weight

247.25 g/mol

IUPAC Name

(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Canonical SMILES

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)O

InChI Key

WFPSMPYVXFVVFA-LURJTMIESA-N

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1

MDL Number

MFCD00059232

HSN No

29241990

Molecular Weight

247.25 g/mol

Melting Point

98-102°C

Boiling Point

432.6±40.0 °C (Predicted)

Density

1.2±0.1 g/cm3

PSA

89.6 Å²

logP

0.4

Average mass

247.25 g/mol

Monoisotopic mass

247.10558774 Da

Molar mass

247.25 g/mol

Vapour pressure

0 mmHg at 25°C

Precautionary Statement Codes

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Hazard Classes and Categories

Skin Irrit. 2 (100%) Eye Irrit. 2 (100%)

Peptide Synthesis

This compound is utilized as a vital protected amino acid building block in solid-phase peptide synthesis, enabling the construction of intricate peptide chains for advanced drug discovery and protein engineering

Pharmaceutical Intermediate

It functions as a key chiral precursor in the development of pharmaceuticals, such as isoxazoline glycoprotein IIb/IIIa antagonists for cardiovascular health and leukotriene A4 hydrolase inhibitors for inflammatory disease management

Organic Synthesis

The methyl ester is employed as a versatile reagent in fine chemical production, where its protecting groups provide essential stability and solubility during the synthesis of bioactive organic compounds.