Dimethyl aspartic acid

Base Information

• Chemical Name: Dimethyl aspartic acid
• CAS No.: 1115-22-6
• Molecular Formula: C₆H₁₁NO₄
• Molecular Weight: 161.158
• Hs Code.: 2922499990
• European Community (EC) Number: 878-007-0
• UNII: X6593K261D
• DSSTox Substance ID: DTXSID701021565
• Nikkaji Number: J821.923K
• Wikidata: Q27293593
• Mol file: 1115-22-6.mol

Synonyms:Dimethyl aspartic acid;1115-22-6;N,N-dimethyl-L-aspartic acid;N-dimethylaminosuccinic acid;(2S)-2-(dimethylamino)butanedioic acid;L-Aspartic acid, N,N-dimethyl-;Aspartic acid, N,N-dimethyl-, L-;NSC-324573;UNII-X6593K261D;2-(dimethylamino)butanedioic acid;X6593K261D;dimethylaspartic acid;SCHEMBL196268;AXWJKQDGIVWVEW-BYPYZUCNSA-N;DTXSID701021565;AM8868;DIMETHYL ASPARTIC ACID [INCI];EN300-23906144;Q27293593

Chemical Property of Dimethyl aspartic acid

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Boiling Point: 244.3°Cat760mmHg
• Flash Point: 101.6°C
• PSA: 75.63000
• Density: 1.294g/cm³
• LogP: -0.38700
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)[C@@H](CC(=O)O)C(=O)O

Technology Process of Dimethyl aspartic acid

There total 4 articles about Dimethyl 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: 38.0%

dimethyl amine (124-40-3) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → N,N-dimethylaspartic acid (1115-22-6)

Guidance literature:

With potassium and magnesium ions; In water; for 72h; 3-methylaspartase;

DOI:10.1039/c39940001601

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → N,N-dimethylaspartic acid (1115-22-6)

Guidance literature:

With hydrogen; platinum;

Reference yield:

N-methyl-L-aspartic acid (4226-18-0) → N,N-dimethylaspartic acid (1115-22-6)

Guidance literature:

(methylation);

upstream raw materials:

formaldehyd

L-Aspartic acid

N-methyl-L-aspartic acid

dimethyl amine

Refernces

• 1、 Gulzar, M. Saeed,Akhtar, Mahmoud,Gani, David. "Enantiospecific Conjugate Addition of N-Nucleophiles to Substituted Fumaric Acids using Methylaspartase". . p. 1601 - 1602. Retrieved 1994.
• 2、 Naresh Chary,Sudarshana Reddy,Kumar, Ch. Dinesh,Srinivas,Prabhakar. "Characterization of N,N-dimethyl amino acids by electrospray ionization-tandem mass spectrometry". . p. 771 - 781. Retrieved 2015/08/18.
• 3、 Gulzar, M. Saeed,Akhtar, Mahmoud,Gani, David. "Preparation of N-substituted aspartic acids via enantiospecific conjugate addition of N-nucleophiles to fumaric acids using methylaspartase: Synthetic utility and mechanistic implications". . p. 649 - 655. Retrieved 2007/10/03.