Aspartic Acid

Base Information

• Chemical Name: Aspartic Acid
• CAS No.: 617-45-8
• 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: 617-45-8.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
• Vapor Pressure: 0.00289mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.4540 (estimate)
• Boiling Point: 264.121 °C at 760 mmHg
• PKA: 2.28±0.23(Predicted)
• Flash Point: 113.536 °C
• PSA: 100.62000
• Density: 1.515 g/cm³
• LogP: -0.42670
• Storage Temp.: Store at RT.
• Solubility.: SOLUBLE
• Water Solubility.: SOLUBLE
• 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

DL-Aspartic Acid ^*data from reagent suppliers

Safty Information:

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

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.
• Uses: Food additive. DL-Aspartic acid is used in studies on factors and conditions that enhance semen and sperm quality. Its conjugate base D-aspartate has potential use as a therapeutic agent in the treatment of schizophrenia-related symptoms.
• Biological Functions: DL-Aspartic acid (DL-Asp) is a racemic mixture of the proteinogenic amino acid L-aspartate and the non-proteinogenic amino acid D-aspartate. DL-Aspartic acid is used in studies on factors and conditions that enhance semen and sperm quality.

Technology Process of Aspartic Acid

There total 139 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: 86.0%

2-Formylamino-2-methoxycarbonyl-succinic acid dimethyl ester → aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

With water; hydrogen cation; Heating;

Reference yield: 85.0%

2-Acetylamino-2-ethoxycarbonyl-succinic acid 1-ethyl ester 4-methyl ester → aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

With water; hydrogen cation; Heating;

Reference yield: 80.0%

2-amino-succinic acid 1-(9-bora-bicyclo[3.3.1]non-9-yl) ester → aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3)

Guidance literature:

2-amino-succinic acid 1-(9-bora-bicyclo[3.3.1]non-9-yl) ester; With hydrogenchloride; In methanol; at 20 ℃; for 0.166667h;

With methyloxirane; In methanol; water; Further stages.;

DOI:10.1021/ol017241b

upstream raw materials:

aniline

(+/-)-phthaloylaspartic acid

diazo-succinic acid diethyl ester

Oxalacetic acid

Downstream raw materials:

N-thiobenzoyl-aspartic acid

N-[(4-chloro-2-methyl-phenoxy)-acetyl]-DL-aspartic acid

N-[(2,4,5-trichloro-phenoxy)-acetyl]-DL-aspartic acid

N-(4-iodo-benzenesulfonyl)-aspartic acid

Refernces

• 1、 Fukushima, Takashi,Yamauchi, Miho. "Electrosynthesis of amino acids from biomass-derivable acids on titanium dioxide". supporting information. p. 14721 - 14724. Retrieved 2019/12/24.
• 2、 Smirnova,Khizhnyak,Nikol’skii,Khalyapina, Ya. M.,Pakhomov. "Degradation of complexons derived from succinic acid under UV radiation". . p. 507 - 511. Retrieved 2017/08/02.