N-Acetyl-L-aspartic acid

Base Information

• Chemical Name: N-Acetyl-L-aspartic acid
• CAS No.: 997-55-7
• Molecular Formula: C6H9NO5
• Molecular Weight: 175.141
• Hs Code.: 2924199090
• European Community (EC) Number: 213-643-9
• UNII: 445Y04YIWR
• DSSTox Substance ID: DTXSID40897219
• Nikkaji Number: J62.824G
• Wikipedia: N-Acetylaspartic_acid
• Wikidata: Q2629377
• NCI Thesaurus Code: C118887
• Metabolomics Workbench ID: 37441
• ChEMBL ID: CHEMBL1162494
• Mol file: 997-55-7.mol

Synonyms:acetyl aspartic acid;N-acetyl aspartate;N-acetyl-L-aspartate;N-acetylaspartate;N-acetylaspartate, monopotassium salt;N-acetylaspartic acid

Chemical Property of N-Acetyl-L-aspartic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 2E-08mmHg at 25°C
• Melting Point: 137-140 °C(lit.)
• Boiling Point: 425.3 °C at 760 mmHg
• PKA: 3.14±0.10(Predicted)
• Flash Point: 211 °C
• PSA: 103.70000
• Density: 1.422 g/cm³
• LogP: -0.55870
• Storage Temp.: Store at 0
• Solubility.: Aqueous Acid (Slightly, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly,
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 175.04807239
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99.9% ^*data from raw suppliers

N-Acetyl-L-aspartic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Amino Acids and Derivatives
• Canonical SMILES: CC(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CC(=O)O)C(=O)O
• Uses: Nutritional supplement; in forensic determination of age. N-Acetyl-L-aspartic acid can be used as a reactant to synthesize: Protected homoserine γ-lactones by selective reduction and acid-catalyzed cyclization reaction.Racemic amino substituted succinimide derivatives via cyclocondensation reaction. N-Acetyl-L-aspartic acid is used in biological studies for metabolic alterations associated with schizophrenia.

Technology Process of N-Acetyl-L-aspartic acid

There total 9 articles about N-Acetyl-L-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: 99.0%

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + acetic anhydride (108-24-7) → N-Acetyl-L-aspartic acid (997-55-7)

Guidance literature:

In water; for 0.0666667h; Irradiation;

DOI:10.1080/00397919208021300

Reference yield:

N-acetyl-L-aspartyl-L-glutamate (3106-85-2) → L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + N-Acetyl-L-aspartic acid (997-55-7)

Guidance literature:

With glutamate carboxypeptidase II; TACN*Zn(II) complex; 2-hydroxypropyl-p-nitrophenyl phosphate; at 40 ℃; pH=7; Kinetics; aq. buffer; Enzymatic reaction;

DOI:10.1002/anie.201007389

Reference yield:

L-Aspartic acid bis(trimethylsilyl) ester (5269-42-1) + acetyl chloride (75-36-5) → N-Acetyl-L-aspartic acid (997-55-7)

Guidance literature:

L-Aspartic acid bis(trimethylsilyl) ester; acetyl chloride; With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In dichloromethane; at 20 ℃;

With methanol; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2007.01.155

upstream raw materials:

(S)-N-acetyl-L-aspartic anhydride

L-Aspartic acid

acetic anhydride

L-Aspartic acid bis(trimethylsilyl) ester

Downstream raw materials:

L-Aspartic acid

(S)-N-acetyl-L-aspartic anhydride

Refernces

• 1、 -. "Peptide Tyrosinase Activators". . . Retrieved 2015/06/10.
• 2、 Bonomi, Renato,Cazzolaro, Alessandro,Sansone, Anna,Scrimin, Paolo,Prins, Leonard J.. "Detection of enzyme activity through catalytic signal amplification with functionalized gold nanoparticles". supporting information; scheme or table. p. 2307 - 2312. Retrieved 2011/04/21.