D-ASPARTIC ACID-BETA-METHYL ESTER
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D-ASPARTIC ACID-BETA-METHYL ESTER
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CAS No:
21394-81-0
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Formula:
C5H9NO4
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Chemical Name:
D-ASPARTIC ACID-BETA-METHYL ESTER
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Synonyms:
D-ASPARTIC ACID-BETA-METHYL ESTER;H-D-Aspartic acid-β-methyl ester;D-Aspartic acid-β-methyl ester;β-Methyl (2R)-aspartate ester;H-D-ASPARTIC ACID-SS-METHYL ESTER;D-Asp(OMe)-OH·HCl;D-Aspartic acid ?-methyl ester hydrochloride99%;D-Asp(Ome).HCl
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CAS No:
Description
Methyl gamma-D-aspartate is a dicarboxylic acid monoester obtained by condensation of the side-chain carboxy group of D-aspartic acid with methanol. It has a role as a bacterial metabolite. It is a D-aspartic acid derivative and a dicarboxylic acid monoester.
Characteristics
89.6
-2.4
1.299
188-190 °C
301.7±37.0 °C(Predicted)
136.3±26.5 °C
1.478
Store at 0-5°C
2.16±0.23(Predicted)
Sealed in dry,Room Temperature
D-ASPARTIC ACID-BETA-METHYL ESTER Use and Manufacturing
73.7 ml of acetyl chloride (1.4 eq.) was added dropwise to methanol (250 ml) at 0 °C. The mixture was added dropwise to a suspension of 100 g (751 mmol) (R)-2- aminosuccinic acid in MeOH (250 ml) at 0 °C. After stirring for 3 h, the mixture was warmed to room temperature and stirred overnight. Five additional vials were set up as described above. All six reaction mixtures were combined and concentrated under reduce pressure. The residue was treated with MTBE and the precipitate that formed was filtered and dried under reduce pressure. (R)-2-amino-4-methoxy-4-oxobutanoic acid was obtained as a white solid (600 g, 90 percent). 1H NMR (400 MHz, Deuterium oxide): δ 4.33 (t, J=5.5 Hz, 1H), 3.81 (s, 1H), 3.72 (s, 3H), 3.10 (d, J=4.9 Hz, 2H).
Computed Properties
Molecular Weight:147.13
XLogP3:-2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:147.05315777
Monoisotopic Mass:147.05315777
Topological Polar Surface Area:89.6
Heavy Atom Count:10
Complexity:145
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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D-ASPARTIC ACID-BETA-METHYL ESTER
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