CAS No.7362-93-8,L-Aspartic acid benzyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7362-93-8
Name:	L-Aspartic acid benzyl ester
Article Data:	9

Formula:	C₁₁H₁₃NO₄
Molecular Weight:	223.229
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;
EINECS:	218-541-8
Density:	1.283 g/cm³
Melting Point:	176 °C
Boiling Point:	391 °C at 760 mmHg
Flash Point:	190.3°C
Hazard Symbols:	Xn
Risk Codes:	R20/21/22; R36/37/38; R40; R43
PSA:	89.62000
LogP:	1.23210

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

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

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

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

Conditions	Yield
With triethylamine

L-aspartic acid dibenzyl ester-toluene-4-sulfonate: L-aspartic acid dibenzyl ester-toluene-4-sulfonate

: 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid

Conditions

Conditions	Yield
With hydrogen iodide; acetic acid

: 56-84-8
L-Aspartic acid

: 100-51-6
benzyl alcohol

: 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid

Conditions

Conditions	Yield
With PPA at 92℃; for 8h;
With sulfuric acid In diethyl ether at 20℃; for 24h;

: 123-51-3
i-Amyl alcohol

: 7362-93-8
(S)-3-amino-4-(benzyloxy)-4-oxobutanoic acid

: C16H23NO4

Conditions

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

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

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

: 4-benzyloxycarbonyl-1-<(N-tert-butylcarbamoyl)(2-nitrophenyl)methyl>azetidin-2-one

Conditions

Conditions	Yield
In methanol at 0℃; for 12h;	85%

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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