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65414-77-9

65414-77-9 Structure

65414-77-9 Structure
IdentificationBack Directory
[Name]

H-DL-ASP-OME
[CAS]

65414-77-9
[Synonyms]

NSC 120023
DL-Asp-OMe
H-DL-ASP-OME
H-Asp(β-OH)-OMe
DL-ASPARTIC ACID-OME
H-DL-ASP-OME USP/EP/BP
DL-Aspartic acid methyl ester
DL-Aspartic acid α-methyl ester
3-amino-4-methoxy-4-oxobutanoicaci
DL-ASPARTIC ACID ALPHA-METHYL ESTER
DL-Aspartic acid α-methyl ester≥ 98% (NMR)
[Molecular Formula]

C5H9NO4
[MDL Number]

MFCD00237858
[MOL File]

65414-77-9.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Boiling point ]

272.7±30.0 °C(Predicted)
[density ]

1.299±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

solid
[pka]

3.45±0.19(Predicted)
[Appearance]

White to off-white Solid
[Optical Rotation]

3.5°(C=0.156 g/100ml, EA)
[InChI]

1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)
[InChIKey]

SWWBMHIMADRNIK-UHFFFAOYSA-N
[SMILES]

COC(=O)C(N)CC(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Synthesis]

L-Aspartic acid, N-formyl-, 1-methyl ester

60504-59-8

1-Methyl L-aspartate

17812-32-7

Example 2: 1.75 g of N-formyl-L-aspartic acid α-methyl ester (10 mmol) was dissolved with 3.5 g of hydroxylamine hydrochloride (50 mmol) in 10 mL of 90% methanol solution. The reaction mixture was stirred continuously at 70°C for 4 hours. Upon completion of the reaction, the reaction mixture was confirmed to contain L-aspartic acid α-methyl ester in 85% yield by analysis.

[References]

[1] Patent: US4021418, 1977, A
Spectrum DetailBack Directory
[Spectrum Detail]

H-DL-ASP-OME(65414-77-9)1HNMR
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