Aspartame Hydrochloride

Base Information

• Chemical Name: Aspartame Hydrochloride
• CAS No.: 5910-52-1
• Molecular Formula: C14H18 N2 O5 . Cl H
• Molecular Weight: 330.768
• European Community (EC) Number: 227-623-2
• UNII: MH4IO18KU0
• DSSTox Substance ID: DTXSID20974552
• Wikidata: Q27284029
• Mol file: 5910-52-1.mol

Synonyms:Aspartame Hydrochloride;Usal;Aspartame HCl;Aspartam hydrochloride;5910-52-1;UNII-MH4IO18KU0;MH4IO18KU0;EINECS 227-623-2;1-Methyl N-L-alpha-aspartyl-3-phenyl-L-alaninate monohydrochloride;C14H18N2O5.ClH;SCHEMBL3843933;DTXSID20974552;Q27284029;alpha-L-Aspartyl-L-Phenylalanine Methyl Ester Hydrochloride;L-ASPARTYL-L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE;L-PHENYLALANINE, L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDROCHLORIDE;3-Amino-4-hydroxy-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid--hydrogen chloride (1/1)

Chemical Property of Aspartame Hydrochloride

Chemical Property:

• PSA: 118.72000
• LogP: 1.58210
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 330.0982494
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.Cl
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N.Cl

Technology Process of Aspartame Hydrochloride

There total 7 articles about Aspartame Hydrochloride 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: 100.0%

Boc-Asp(OtBu)-Phe-OMe (4976-94-7) → α-L-aspartyl-L-phenylalanine methyl ester hydrochloride (5910-52-1)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 3h; Neat (no solvent);

DOI:10.1002/anie.200903510

Reference yield: 48.0%

anhydride du N-chloroacetyl-L-acide aspartique (41567-23-1) + methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) → L-Asp-L-Phe-OMe (22839-47-0,7421-84-3) + α-L-aspartyl-L-phenylalanine methyl ester hydrochloride (5910-52-1)

Guidance literature:

With hydrogenchloride; acetic acid; thiourea; sodium chloride; In methanol; 1,1-dichloroethane; water;

Reference yield: 34.0%

→ α-L-aspartyl-L-phenylalanine methyl ester hydrochloride (5910-52-1)

Guidance literature:

upstream raw materials:

methanol

N-α-L-aspartyl-L-phenylalaninemethyl ester

anhydride du N-chloroacetyl-L-acide aspartique

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

Downstream raw materials:

L-Asp-L-Phe-OMe

Refernces

• 1、 Declerck, Valerie,Nun, Pierrick,Martinez, Jean,Lamaty, Frederic. "Solvent-free synthesis of peptides". supporting information; experimental part. p. 9318 - 9321. Retrieved 2010/03/24.
• 2、 -. "Process for the preparation of α-L-aspartyl-L-phenylalanine methyl ester". . . Retrieved 2008/06/13.