| Identification | More | [Name]
L-Aspartic acid 4-benzyl ester | [CAS]
2177-63-1 | [Synonyms]
4-BENZYL L-ASPARTATE
ASPARTIC ACID(OBZL)-OH
BETA-BENZYL L-ASPARTATE
H-ASP(OBZL)-OH
H-L-ASP(OBZL)-OH
L-ASPARTIC ACID 4-BENZYL ESTER
L-ASPARTIC ACID-BENZYL ESTER
L-ASPARTIC ACID BETA-BENZYL ESTER
benzyl hydrogen beta-L-aspartate
Asp(OBz)-OH
B-BENZYL L-ASPARTATE
ALPHA-BENZYL-L-ASPARTATE
cis-3,4-DMETHYL-2-HEXENE
á-benzyl l-aspartate
Aspartic acid, 4-benzyl ester
H-L-Asp(Bzl)-OH
L-ASPARTIC ACID-B-BENZYLESTER
H-Asp(OBn)-OH
Aspartic acid, 4-(phenylmethyl) ester
β-Benzyl L-aspartate, L-Aspartic acid 4-benzyl ester | [EINECS(EC#)]
218-541-8 | [Molecular Formula]
C11H13NO4 | [MDL Number]
MFCD00037208 | [Molecular Weight]
223.23 | [MOL File]
2177-63-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Crystalline | [Melting point ]
~225 °C (dec.) | [Boiling point ]
413.1±45.0 °C(Predicted) | [density ]
1.283±0.06 g/cm3(Predicted) | [refractive index ]
27 ° (C=1, 1mol/L HCl) | [storage temp. ]
−20°C
| [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
2.16±0.23(Predicted) | [color ]
White | [Water Solubility ]
Insoluble in water. | [BRN ]
1983183 | [Major Application]
peptide synthesis | [InChI]
1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1 | [InChIKey]
VGALFAWDSNRXJK-VIFPVBQESA-N | [SMILES]
N[C@@H](CC(=O)OCc1ccccc1)C(O)=O | [CAS DataBase Reference]
2177-63-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Crystalline | [Uses]
L-Aspartic acid β-benzyl ester is used in the synthesis of peptides with a 1,4-diazepine-2,5-dione ring structure and in development of block copolymers. | [Definition]
ChEBI: L-aspartic acid beta-benzyl ester is an aspartic acid derivative. | [Synthesis]
100 mL of anhydrous ether was added to a 500 mL beaker and 20 mL of concentrated sulfuric acid was added slowly and dropwise while stirring and cooling to room temperature. Subsequently, 150 mL of benzyl alcohol was added and the ether was removed by stirring well. Under reduced pressure, 26 g of L-aspartic acid was added to the reaction flask in 5 batches. The reaction was stirred for 24 h at room temperature, after which 300 mL of 95% ethanol was added, and 80 mL of pyridine was slowly added dropwise through a dropping funnel with vigorous stirring while dropping. The reaction mixture was placed in a refrigerator overnight and the solid was collected by filtration. The solid was dissolved with 80% ethanol with stirring, heated and filtered. The filtrate was frozen for 8 hours, filtered again and finally lyophilized to obtain pure β-aspartic acid benzyl ester in 90% yield. | [References]
[1] Journal of Natural Products, 2017, vol. 80, # 7, p. 2136 - 2140
[2] Patent: CN107129501, 2017, A. Location in patent: Paragraph 0009; 0010; 0011
[3] Synthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistry, 2011, vol. 41, # 5, p. 459 - 464
[4] Patent: US2004/133033, 2004, A1. Location in patent: Page 4-5
[5] Chemistry - A European Journal, 2018, vol. 24, # 54, p. 14373 - 14377 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|