(2-phenylacetyl)-L-aspartic acid

Base Information

• Chemical Name: (2-phenylacetyl)-L-aspartic acid
• CAS No.: 2752-32-1
• Molecular Formula: C12H13NO5
• Molecular Weight: 251.239
• ChEMBL ID: CHEMBL3884699
• DSSTox Substance ID: DTXSID001295559
• Nikkaji Number: J1.398.259G

Synonyms:(2-phenylacetyl)-L-aspartic acid;2752-32-1;17079-41-3;N-phenylacetyl aspartic acid;N-phenacetyl-l-aspartic acid;CHEMBL3884699;SCHEMBL10748157;SVFKZPQPMMZHLZ-VIFPVBQESA-N;DTXSID001295559;N-(2-Phenylacetyl)-L-aspartic acid;(S)-2-(2-Phenylacetamido)succinic acid

Chemical Property of (2-phenylacetyl)-L-aspartic acid

Chemical Property:

• PSA: 103.70000
• LogP: 0.66410
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 251.07937252
• Heavy Atom Count: 18
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)N[C@@H](CC(=O)O)C(=O)O

Technology Process of (2-phenylacetyl)-L-aspartic acid

There total 4 articles about (2-phenylacetyl)-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:

aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + benzeneacetic acid methyl ester (101-41-7) → (R)-2-Phenylacetylamino-succinic acid + (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) + N-phenylacetyl aspartic acid (2752-32-1)

Guidance literature:

With sodium hydroxide; E_. coli penicillin-G acylase F₂₄A mutant; at 25 ℃; pH=9.6; Title compound not separated from byproducts;

DOI:10.1016/j.tetasy.2005.12.023

Reference yield:

N-phenacetyl-α-L-aspartyl-L-phenylalanine methyl ester (101623-22-7) → methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) + N-phenylacetyl aspartic acid (2752-32-1)

Guidance literature:

With thermolysin; at 25 ℃; Rate constant;

DOI:10.1016/S0040-4020(01)88207-7

Reference yield:

(S)-dimethyl 2-(phenylacetamido)succinate (75596-69-9) → N-phenylacetyl aspartic acid (2752-32-1)

Guidance literature:

With sodium hydroxide; In methanol; at 30 ℃; for 24h;

DOI:10.1016/0031-9422(80)85147-8

upstream raw materials:

N-phenacetyl-α-L-aspartyl-L-phenylalanine methyl ester

(S)-dimethyl 2-(phenylacetamido)succinate

aspartic Acid

benzeneacetic acid methyl ester

Downstream raw materials:

Ac(Ph)-Asp-Phe-OMe*H-Phe-OMe

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