CAS No.2791-79-9,Dibenzyl L-aspartate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2791-79-9
Name:	Dibenzyl L-aspartate
Article Data:	15

Formula:	C₁₈H₁₉NO₄
Molecular Weight:	313.353
Synonyms:	Asparticacid, dibenzyl ester (6CI,7CI);Aspartic acid, dibenzyl ester, L- (8CI);L-Aspartic acid, bis(phenylmethyl) ester (9CI);Dibenzyl (S)-aspartate;Dibenzyl L-aspartate;Dibenzyl aspartate;L-Aspartic acid dibenzyl ester;
Density:	1.223 g/cm³
Boiling Point:	503.749 °C at 760 mmHg
Flash Point:	258.458 °C
PSA:	75.63000
LogP:	2.75380

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Specification

The Dibenzyl L-aspartate, with the CAS registry number 2791-79-9, is also known as L-Aspartic acid dibenzyl ester. This chemical's molecular formula is C₁₈H₁₉NO₄ and molecular weight is 196.10. What's more, its systematic name is (3S)-3-(Benzylamino)-4-(benzyloxy)-4-oxobutanoic acid (non-preferred name).

Physical properties of Dibenzyl L-aspartate are: (1)ACD/LogP: 4.738; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 1.80; (5)ACD/BCF (pH 5.5): 20.66; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 79.22; (8)ACD/KOC (pH 7.4): 10.41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 85.714 cm³; (15)Molar Volume: 256.28 cm³; (16)Polarizability: 33.98×10^-24cm³; (17)Surface Tension: 51.65 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 258.458 °C; (20)Enthalpy of Vaporization: 81.404 kJ/mol; (21)Boiling Point: 503.749 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Dibenzyl L-aspartate: it can be used to produce L-aspartic acid 4-benzyl ester at the temperature of 25 °C. It will need reagent subtilisin-CLEC with the reaction time of 2 hours. The yield is about 97%.

Dibenzyl L-aspartate can be used to produce L-aspartic acid 4-benzyl ester at the temperature of 25 °C

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN[C@@H](CC(=O)O)C(=O)OCc2ccccc2
(2)Std. InChI: InChI=1S/C18H19NO4/c20-17(21)11-16(19-12-14-7-3-1-4-8-14)18(22)23-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,21)/t16-/m0/s1
(3)Std. InChIKey: GBJVGEDAQANULN-INIZCTEOSA-N