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56-84-8

Basic Information
CAS No.: 56-84-8
Name: L-Aspartic acid
Article Data: 305
Molecular Structure:
Molecular Structure of 56-84-8 (L-Aspartic acid)
Formula: C4H7NO4
Molecular Weight: 133.104
Synonyms: L-Asparaginic acid;(2S)-2-aminobutanedioic acid;(S)-(+)-Aminosuccinic acid;L-(+)-Aspartic acid;(2S)-Aspartic acid;(+)-Aspartic acid;Aspartic acid, L- (8CI);(S)-Aminobutanedioic acid;L-Aspartate;(S)-Aspartic acid;Aspartic acid, L-;Butanedioic acid, amino-, (S)-;
EINECS: 200-291-6
Density: 1.515 g/cm3
Melting Point: >300 °C (dec.)(lit.)
Boiling Point: 264.121 °C at 760 mmHg
Flash Point: 113.536 °C
Solubility: 5 g/L (25 °C) in water
Appearance: White crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36-36/37/38-20/21/22
Safety: 26-24/25-22-36
PSA: 100.62000
LogP: -0.42670
Synthetic route
2177-63-1

(S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With sodium carbonate In water for 24h; Ambient temperature;100%
With dimethylsulfide; trifluorormethanesulfonic acid; 30 (v/v); trifluoroacetic acid at 0℃; for 4h; Yield given;
With trifluoroacetic acid In dichloromethane at 20℃; Rate constant;
With p-cresol; dimethylsulfide; hydrogen fluoride at 0℃; for 1h; Rate constant;
With E. coli BL21 Star (DE3) S30 extract In aq. buffer at 37℃; for 6h; pH=7.5;
7536-58-5

BOC-L-aspartic acid 4-benzyl ester

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With Nafion H; trifluoroacetic acid for 3h;100%
With HBF4-thioanisole; 3-methyl-phenol In trifluoroacetic acid at 4℃; for 1h; removal of various protecting groups used in peptide synthesis; cleavage of amino acid amides from 4-methylbenzhydrylamine resin;100%
98477-96-4

Boc-Asp(OChp)-OH

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate; methyl-phenyl-thioether In trifluoroacetic acid at 0℃; for 30h;100%
With trimethylsilyl trifluoromethanesulfonate; methyl-phenyl-thioether In trifluoroacetic acid at 0℃; for 0.5h; Product distribution; New peptide deprotection procedure: hard-soft acid-base concept; the role of soft bases (thioanisole, dimethylsulfide, diphenylsulfide) employed.;100%
115545-59-0

H-Asp-(O-1-Ada)-OH

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With trifluoroacetic acid for 0.0833333h; Ambient temperature;100%
With trifluoroacetic acid for 0.0833333h; Product distribution; Ambient temperature; Effect of reagents and reaction time.;
With trifluoroacetic acid stability and susceptibility of the Ada protecting group to various acids;
115545-60-3

H-Asp-(O-2-Ada)-OH

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With methanesulfonic acid for 0.0833333h; Ambient temperature;100%
4427-49-0

Z(OMe)-Asp-(OBzl)-OH

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate; diphenyl sulfide In trifluoroacetic acid at 0℃; for 0.5h; Product distribution; New peptide deprotection procedure: hard-soft acid-base concept; the role of soft bases (thioanisole, dimethylsulfide, diphenylsulfide) employed; effect of var. hard bases; var. reaction cond.;100%
With methyl-phenyl-thioether; trimethyl(2,4,6-trimethylphenoxy)silane In trifluoroacetic acid at 22℃; for 1h;100.5 %
231302-81-1

(4S)-3,4-Bis(tert-butoxycarbonyl)tetrahydro-1,3-oxazin-6-one

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran at 20℃;100%

(2S,1'S)-2-[(1-phenylethyl)amino]-butanedioic acid hydrochloride

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal100%
13726-67-5

Boc-Asp-OH

56-84-8

L-Aspartic acid

Conditions
ConditionsYield
With tetradecyl(trihexyl)phosphonium bistriflamide; trifluoroacetic acid at 130℃; for 0.166667h; Ionic liquid;99%
at 130℃; for 1h;81%
71989-14-5

Fmoc-(tBu)Asp-OH

A

56-84-8

L-Aspartic acid

B

3057-74-7

L-Asp(t-Bu)

Conditions
ConditionsYield
Stage #1: Fmoc-(tBu)Asp-OH With sodium azide In N,N-dimethyl-formamide at 50℃; for 4h;
Stage #2: With piperidine In N,N-dimethyl-formamide
A n/a
B 97%
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    PRODUCT DETAILS Product Name L-Aspartic Acid Molecular formula C4H7NO4 CAS No. 56-84-8 EINECS No. 200-291-6 Molec

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Specification

The L-Aspartic acid, with the CAS registry number 56-84-8,is also known as L(+)-Aspartic acid; L-2-Aminobutanedioic acid; L-Aminosuccinic acid. It belongs to the product categories of pharmaceutical intermediate;sweetener. This chemical's molecular formula is C4H7NO4 and molecular weight is 133.10.Its EINECS number is 200-291-6. What's more,Its systematic name is L-Aspartic acid. It is a White crystalline powder which is used for synthetic sweetener. In medicine, it is used in the treatment of heart disease, and it also used as liver promoting agents, AMMONIA antidote, elimination fatigue,  amino acid composition infusion, ect.It is one of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.

L-Aspartic acid has the following datas:
(1)ACD/LogP:  -1.075; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -4.50; (4)ACD/LogD (pH 7.4):  -4.58; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  5; (10)#H bond donors:  4; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.531; (13)Molar Refractivity:  27.203 cm3; (14)Molar Volume:  87.868 cm3; (15)Surface Tension:  78.2060012817383 dyne/cm; (16)Density:  1.515 g/cm3; (17)Flash Point:  113.536 °C; (18)Enthalpy of Vaporization:  55.259 kJ/mol; (19)Boiling Point:  264.121 °C at 760 mmHg; (20)Vapour Pressure:  0.00300000002607703 mmHg at 25°C.

You could convert the following datas into the molecular structure:
(1)SMILES:C([C@@H](C(=O)O)N)C(=O)O;
(2)Std. InChI:InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1;
(3)Std. InChIKey:CKLJMWTZIZZHCS-REOHCLBHSA-N.

Toxicity of L-Aspartic acid is as follows :

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6gm/kg (6000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 569, 1991.

 Safety Information of L-Aspartic acid:
The L-Aspartic acid is Irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. When you use it ,wear suitable protective clothing,avoid contact with skin and eyes and do not breathe dust.  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.