- L-Aspartic acid
- L-Aspartic acid 1-tert-butyl ester
- L-Aspartic acid 4-benzyl ester
- L-Aspartic acid 4-cyclohexyl ester
- L-Aspartic acid 4-tert-butyl ester
- L-Aspartic acid 4-tert-butyl-1-methyl ester hydrochloride
- L-Aspartic acid benzyl ester
- L-Aspartic acid dibenzyl ester 4-toluenesulfonate
- L-Aspartic acid dibenzyl ester hydrochloride
- L-Aspartic acid diethyl ester hydrochloride
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Cas Database |
| Name |
L-Aspartic acid benzyl ester |
EINECS | 218-541-8 |
| CAS No. | 7362-93-8 | Density | 1.283 g/cm3 |
| PSA | 89.62000 | LogP | 1.23210 |
| Solubility | N/A | Melting Point |
176 °C |
| Formula | C11H13NO4 | Boiling Point | 391 °C at 760 mmHg |
| Molecular Weight | 223.229 | Flash Point | 190.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R20/21/22; R36/37/38; R40; R43 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Asparticacid, 1-benzyl ester, L- (8CI);(S)-3-Amino-4-(benzyloxy)-4-oxobutanoicacid;1-Benzyl L-aspartate;Aspartic acid 1-benzylester;Aspartic acid a-benzyl ester;L-Aspartic acid a-benzyl ester;NSC 186918;a-Benzyl L-aspartate;H-Asp-OBzl; |
Article Data | 9 |
L-Aspartic acid benzyl ester Synthetic route
- 30925-18-9
2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
| Conditions | Yield |
|---|---|
| With phosphoric acid In tetrahydrofuran at 20℃; for 4h; | 94% |
| With phosphoric acid In dichloromethane at 20℃; for 3h; | 94% |
| With trifluoroacetic acid In dichloromethane for 2h; Ambient temperature; |
- 2886-33-1
dibenzyl L-aspartate toluene-4-sulphonate
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide In acetic acid |
- 6327-59-9
L-aspartic acid dibenzyl ester hydrochloride
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid |
- 5487-35-4
(S)-3-amino-dihydro-furan-2,5-dione; hydrobromide
- 100-51-6
benzyl alcohol
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
| Conditions | Yield |
|---|---|
| With triethylamine |
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen iodide; acetic acid |
| Conditions | Yield |
|---|---|
| With PPA at 92℃; for 8h; | |
| With sulfuric acid In diethyl ether at 20℃; for 24h; |
| Conditions | Yield |
|---|---|
| Stage #1: (S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid With 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V) In dichloromethane at 20℃; for 0.5h; Stage #2: i-Amyl alcohol With triethylamine In dichloromethane at 20℃; for 4h; | 95% |
- 67-56-1
methanol
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
- 51298-61-4
(S)-1-benzyl 4-methyl 2-aminosuccinate
| Conditions | Yield |
|---|---|
| With thionyl chloride for 17h; Heating; | 86% |
| Stage #1: (S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid With thionyl chloride for 0.25h; Cooling with ice-water; Stage #2: methanol at 20℃; for 29h; | |
| With thionyl chloride at 20℃; Cooling with ice; |
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
- 101649-06-3
N-((R)-3-Benzyloxytetradecanoyloxy)succinimid
- 142982-03-4
N-<(R)-3-(benzyloxy)tetradecanoyl>-(S)-aspartic acid α-benzyl ester
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 17h; Ambient temperature; | 86% |
- 119072-55-8, 7188-38-7
tert-butylisonitrile
- 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
- 552-89-6
2-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| In methanol at 0℃; for 12h; | 85% |
L-Aspartic acid benzyl ester Specification
The IUPAC name of H-Asp-OBzl is 3-amino-4-oxo-4-phenylmethoxybutanoic acid. With the CAS registry number 7362-93-8, it is also named as L-Aspartic acid, 1-(phenylmethyl) ester. The product's categories are Amino Acids Derivatives; Amino Acids; Aspartic acid [Asp, D]; Amino Acids and Derivatives; Amino Acid Benzyl Esters; Amino Acids (C-Protected); Biochemistry. It is used in peptide synthesis. Additionally, this chemical should be sealed in the conmtainer and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 56.53 cm3; (12)Molar Volume: 173.9 cm3; (13)Polarizability: 22.41×10-24 cm3; (14)Surface Tension: 56.1 dyne/cm; (15)Enthalpy of Vaporization: 67.56 kJ/mol; (16)Vapour Pressure: 8.17E-07 mmHg at 25°C; (17)Rotatable Bond Count: 6; (18)Exact Mass: 223.084458; (19)MonoIsotopic Mass: 223.084458; (20)Topological Polar Surface Area: 89.6; (21)Heavy Atom Count: 16; (22)Complexity: 248.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-]C(=O)C[C@@H](C(=O)OCc1ccccc1)[NH3+]
2. InChI:InChI=1/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1
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