N-Benzoylaspartic acid

Base Information

• Chemical Name: N-Benzoylaspartic acid
• CAS No.: 17966-68-6
• Molecular Formula: C11H11NO5
• Molecular Weight: 237.212
• European Community (EC) Number: 688-923-0
• NSC Number: 334204,227406,28467
• Metabolomics Workbench ID: 46449
• ChEMBL ID: CHEMBL1207024
• Mol file: 17966-68-6.mol

Synonyms:N-Benzoylaspartic acid;2-benzamidobutanedioic acid;L-Aspartic acid, N-benzoyl-;4915-59-7;L-N-Benzoylaspartic acid;Aspartic acid, N-benzoyl-, L-;4631-12-3;NSC 28467;NSC 227406;BRN 2507411;2-(PHENYLFORMAMIDO)BUTANEDIOIC ACID;N-benzoyl-D,L-aspartic acid;Maybridge3_005683;Aspartic acid, N-benzoyl-;Oprea1_370413;SCHEMBL697052;N-(phenylcarbonyl)aspartic acid;CHEMBL1207024;CHEBI:169334;HMS1447C07;NSC28467;NSC-28467;NSC227406;NSC334204;STL230695;AKOS002303342;AKOS016322711;CCG-237059;NSC-227406;NSC-334204;Aspartic acid, N-benzoyl- (6CI,7CI);IDI1_017070;LS-22077;4-09-00-00839 (Beilstein Handbook Reference)

Chemical Property of N-Benzoylaspartic acid

Chemical Property:

• Vapor Pressure: 6.76E-11mmHg at 25°C
• Boiling Point: 502°Cat760mmHg
• Flash Point: 257.4°C
• Density: 1.404g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.06372245
• Heavy Atom Count: 17
• Complexity: 309

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

Technology Process of N-Benzoylaspartic acid

There total 13 articles about N-Benzoylaspartic 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: 49.0%

benzoyl chloride (98-88-4) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → N-benzoylaspartic acid (17966-68-6)

Guidance literature:

With sodium chloride; In water; acetone; for 0.25h;

DOI:10.1080/00397910802250929

Reference yield:

maleic anhydride (108-31-6) + syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) → N-benzoylaspartic acid (17966-68-6)

Guidance literature:

With benzene;

Reference yield:

maleic anhydride (108-31-6) + syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N-benzoylaspartic acid (17966-68-6)

Guidance literature:

upstream raw materials:

maleic anhydride

syn-benzaldehyde oxime

benzene

(Z)-benzaldehyde oxime

Downstream raw materials:

rac-dimethyl 2-benzamidosuccinate

N-benzoyl-DL-aspartic acid diethyl ester

L-Aspartic acid

aspartic Acid