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L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)

L-Aspartic acid, 4-methyl ester, hydrochloride (1:1) structure

CAS No:
16856-13-6
Formula:
C5H9NO4.ClH
Chemical Name:
L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)
Synonyms:
L-Aspartic acid,4-methyl ester,hydrochloride (1:1);L-Aspartic acid,4-methyl ester,hydrochloride;Aspartic acid,4-methyl ester,hydrochloride,L-;L-Aspartic acid β-methyl ester hydrochloride;β-Methyl L-aspartate hydrochloride;(S)-2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White crystalline powder

L-Aspartic acid, 4-methyl ester, hydrochloride (1:1) Basic Attributes

Molecular Weight：

183.59

Exact Mass：

183.029831

EC Number：

240-880-5

HScode：

29224999

Characteristics

PSA：

89.6

XLogP3：

0.46370

Appearance：

Solid

Density：

1.299g/cm3

Melting Point：

190 °C

Boiling Point：

301.7ºC at 760mmHg

Flash Point：

136.3ºC

Storage Conditions：

−20°C

Vapor Pressure：

0.000242mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

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

Hazard Statements：

H315

L-Aspartic acid, 4-methyl ester, hydrochloride (1:1) Use and Manufacturing

To 3.8 mL (41.2 mmol) of SOClExample 50 (L)-5-(1, 3-Dioxo-1, 3-dihydro-isoindol-2-ylmethyl)-2-(oxalyl-amino)-4, 5, 6, 7-tetrahydro-thieno[2, 3-c]pyridine-3-carboxylic acid; To a solution of L-aspartic acid (120 g, 0.90 mol) in methanol (600 ml) cooled to -20° C. was added thionylchoride (93 ml, 1.29 mol) dropwise over 0.5 h. The cooling bath was removed and the mixture was stirred for 1 h, before diethyl ether (1.8 L, containing 50 ml 1 N hydrochloric acid in diethyl ether) was added upon cooling. The resulting precipitate was filtered off and washed with diethyl ether. The product was recrystallized twice:First recrystallization: The product was dissolved in warm methanol (600 ml) and reprecipitated with 1.8 ml diethyl ether (containing 50 ml 1 N hydrochloric acid in diethyl ether).Second recrystallization: The product was dissolved in warm methanol (250 ml) and reprecipitated with 1.0 m diethyl ether (containing 50 ml 1 N hydrochloric acid in diethyl ether).This afforded 75 g (45percent) of L-aspartic acid β-methyl ester hydrochloride as a solid.To a solution of the above β-methyl ester (50 g, 0.27 mol) in water (120 ml) cooled to 0° C. was added triethylamine (95 ml, 0.68 mol) and methyl acrylate (74 ml, 0.82 mol). The reaction mixture was stirred for 3 hours before the cooling bath was removed. After stirring for an additional 1 h the mixture was washed with petrol ether (2.x.400 ml), before tert-butanol (40 ml) and di-tert-butyl dicarbonate (74 g, 0.34 mol) was added and the reaction mixture was stirred for 16 h. The mixture was washed with petrol ether (2.x.400 ml), cooled to 0° C. and the pH was adjusted to 3 with concentrated hydrochloric acid. After extraction with ethyl acetate (3.x.200 ml) the organic phase was washed with brine (200 ml), dried (MgSO

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CAS No.: 16856-13-6

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Guide of L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
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L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)

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