N-(p-Methoxybenzyloxycarbonyl)aspartame

Base Information

• Chemical Name: N-(p-Methoxybenzyloxycarbonyl)aspartame
• CAS No.: 68802-03-9
• Molecular Formula: C23H26N2O8
• Molecular Weight: 458.468
• UNII: 9MSF2XU9JN
• Nikkaji Number: J483.967F

Synonyms:9MSF2XU9JN;N-(p-Methoxybenzyloxycarbonyl)aspartame;UNII-9MSF2XU9JN;68802-03-9;N-(p-Methoxybenzyloxycarbonyl)aspartylphenylalanine methyl ester;L-Phenylalanine, N-(((4-methoxyphenyl)methoxy)carbonyl)-L-alpha-aspartyl-, 2-methyl ester;L-Phenylalanine, N-(N-(((4-methoxyphenyl)methoxy)carbonyl)-L-alpha-aspartyl)-, 1-methyl ester;SCHEMBL11059021;L-PHENYLALANINE, N-(((4-METHOXYPHENYL)METHOXY)CARBONYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER;L-PHENYLALANINE, N-(N-(((4-METHOXYPHENYL)METHOXY)CARBONYL)-L-.ALPHA.-ASPARTYL)-, 1-METHYL ESTER

Chemical Property of N-(p-Methoxybenzyloxycarbonyl)aspartame

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 458.16891579
• Heavy Atom Count: 33
• Complexity: 657

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC
• Isomeric SMILES: COC1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

Technology Process of N-(p-Methoxybenzyloxycarbonyl)aspartame

There total 7 articles about N-(p-Methoxybenzyloxycarbonyl)aspartame 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: 75.0%

p-methoxybenzyloxycarbonyl-Asp-OH (20890-95-3) + methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → Moz-L-Asp-L-Phe-OMe (68802-03-9)

Guidance literature:

With McIlvaine buffer; triethylamine; papain; In ethyl acetate; at 37 ℃; for 72h;

DOI:10.1021/jo00254a036

Reference yield: 59.0%

DL-phenylalanine methyl ester (15028-44-1) + p-methoxybenzyloxycarbonyl-Asp-OH (20890-95-3) → Moz-L-Asp-L-Phe-OMe (68802-03-9)

Guidance literature:

With McIlvaine buffer; triethylamine; papain; In ethyl acetate; at 37 ℃; for 72h;

DOI:10.1021/jo00254a036

Reference yield: 51.0%

DL-phenylalanine methyl ester (15028-44-1) + Moz-D,L-Asp (115705-34-5) → Moz-L-Asp-L-Phe-OMe (68802-03-9)

Guidance literature:

With McIlvaine buffer; triethylamine; papain; In ethyl acetate; at 37 ℃; for 72h;

DOI:10.1021/jo00254a036

upstream raw materials:

DL-phenylalanine methyl ester

p-methoxybenzyloxycarbonyl-Asp-OH

Moz-D,L-Asp

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

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