Aspartic Acid

Base Information

• Chemical Name: Aspartic Acid
• CAS No.: 56-84-8
• Deprecated CAS: 181119-33-5,6899-03-2,2139279-07-3,181119-34-6,221628-95-1,26834-87-7,155436-59-2,155436-61-6,155436-63-8,155436-65-0,90819-17-3,1236300-18-7,1393950-57-6,1436923-03-3,2197132-19-5
• Molecular Formula: C4H7NO4
• Molecular Weight: 133.104
• Hs Code.: 2922.49
• European Community (EC) Number: 200-291-6,614-886-7,642-993-9
• ICSC Number: 1439
• UNII: 30KYC7MIAI
• DSSTox Substance ID: DTXSID7022621
• Nikkaji Number: J9.169C
• Wikipedia: Aspartic acid
• Wikidata: Q178450
• NCI Thesaurus Code: C29608
• RXCUI: 1169
• Metabolomics Workbench ID: 37126
• ChEMBL ID: CHEMBL274323
• Mol file: 56-84-8.mol

Synonyms:(+-)-Aspartic Acid;(R,S)-Aspartic Acid;Ammonium Aspartate;Aspartate;Aspartate Magnesium Hydrochloride;Aspartate, Ammonium;Aspartate, Calcium;Aspartate, Dipotassium;Aspartate, Disodium;Aspartate, Magnesium;Aspartate, Monopotassium;Aspartate, Monosodium;Aspartate, Potassium;Aspartate, Sodium;Aspartic Acid;Aspartic Acid, Ammonium Salt;Aspartic Acid, Calcium Salt;Aspartic Acid, Dipotassium Salt;Aspartic Acid, Disodium Salt;Aspartic Acid, Hydrobromide;Aspartic Acid, Hydrochloride;Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate;Aspartic Acid, Magnesium (2:1) Salt;Aspartic Acid, Magnesium-Potassium (2:1:2) Salt;Aspartic Acid, Monopotassium Salt;Aspartic Acid, Monosodium Salt;Aspartic Acid, Potassium Salt;Aspartic Acid, Sodium Salt;Calcium Aspartate;Dipotassium Aspartate;Disodium Aspartate;L Aspartate;L Aspartic Acid;L-Aspartate;L-Aspartic Acid;Magnesiocard;Magnesium Aspartate;Mg-5-Longoral;Monopotassium Aspartate;Monosodium Aspartate;Potassium Aspartate;Sodium Aspartate

Chemical Property of Aspartic Acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: >300 °C (dec.)(lit.)
• Refractive Index: 1.4540 (estimate)
• Boiling Point: 264.121 °C at 760 mmHg
• PKA: 1.99(at 25℃)
• Flash Point: 113.536 °C
• PSA: 100.62000
• Density: 1.515 g/cm³
• LogP: -0.42670
• Storage Temp.: Store at RT.
• Solubility.: H2O: 5 mg/mL
• Water Solubility.: 5 g/L (25 ºC)
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 133.03750770
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

L-Aspartic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36-36/37/38-20/21/22
• Safety Statements: 26-24/25-22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Amino Acids and Derivatives
• Canonical SMILES: C(C(C(=O)O)N)C(=O)O
• Isomeric SMILES: C([C@@H](C(=O)O)N)C(=O)O
• Recent ClinicalTrials: Prevention and Treatment for COVID -19 (Severe Acute Respiratory Syndrome Coronavirus 2 SARS-CoV-2) Associated Severe Pneumonia in the Gambia
• Recent EU Clinical Trials: International phase 3 trial in Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL) testing imatinib in combination with two different cytotoxic chemotherapy backbones
• Inhalation Risk: Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract.
• Nature and Forms: Aspartic acid exists in two enantiomeric forms: L-aspartic acid and D-aspartic acid.; L-aspartic acid is the more common form and is used in protein synthesis and neurotransmission.; D-aspartic acid is less common and is associated with neurogenesis and the endocrine system.
• Constituent of Proteins: Aspartic acid is one of the top three main constituents of proteins.
• Bio functionality and Uses: Aspartic acid is an acidic amino acid that can chelate or adsorb metal ions.; It finds wide application in food, beverage, pharmaceutical, cosmetic, and agricultural industries.; L-aspartic acid is used as a nutritional supplement and in combination with phenylalanine to produce aspartame, an artificial sweetener.; It aids in immune function, combats depression, and supports energy production, fatigue resistance, RNA and DNA synthesis, and liver detoxification.; It serves as an intermediary substrate in pharmaceutical and organic chemical manufacturing.; Derivatives of aspartic acids, such as acetyl aspartic acid and polyaspartic acid, have various industrial uses including in cosmetics, fertilizers, and hydrogels.
• Market and Production: The global aspartic acid market consists of several small company players and is growing, particularly in the medical sector.; There are three main methods of production: protein extraction, chemical synthesis, and enzymatic conversion. Enzymatic conversion is the favored route due to its efficiency.
• Industrial Relevance and Growth: Aspartic acid has significant potential for industrial relevance and is expected to see increased demand, particularly in the medical and beverage sectors in regions like Asia Pacific.

Technology Process of Aspartic Acid

There total 279 articles about Aspartic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

{[1-{2-[((S)-1-Benzyl-pyrrolidine-2-carbonyl)-amino]-phenyl}-1-phenyl-meth-(E)-ylidene]-amino}-bromo-acetic acid + diethyl malonate (105-53-3) → (2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

With hydrogenchloride; potassium tert-butylate; bromine; triethylamine; nickel dichloride; Yield given. Multistep reaction; 1.) iPrOH, 5 deg C, 2.) CH₃CN, -50 deg C, 3.) 25 deg C, H₂O, reflux, 1 h;

DOI:10.1039/c39880001336

Reference yield:

aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → (2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

With L-alanin; In water; for 24h; Product distribution; Ambient temperature; other optically active amino acids;

DOI:10.1246/bcsj.56.653

Reference yield:

4-Ethyl 8-phenylmenthyl N-aspartate → (2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

With hydrogenchloride; trifluoroacetic acid; for 15h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00129a038

upstream raw materials:

Oxalacetic acid

L-glutamic acid

ASPARAGINE

L-asparagine

Downstream raw materials:

Tetramethylpyrazine

dimethylglyoxal

aspartic Acid

acrylic acid

Refernces

• 1、 Chen, Min,Chen, Rouwen,Ding, Wenping,Li, Yanqun,Tian, Xinpeng,Yin, Hao,Zhang, Si. "Structures and antitumor activities of ten new and twenty known surfactins from the deep-sea bacterium Limimaricola sp. SCSIO 53532". . . Retrieved 2022/01/11.
• 2、 Huang, Yi-Min,Lu, Guang-Hui,Zong, Min-Hua,Cui, Wen-Jing,Li, Ning. "A plug-and-play chemobiocatalytic route for the one-pot controllable synthesis of biobased C4 chemicals from furfural". supporting information. p. 8604 - 8610. Retrieved 2021/11/16.