Advantame anhydrous

Base Information

• Chemical Name: Advantame anhydrous
• CAS No.: 245650-17-3
• Molecular Formula: C24H30N2O7
• Molecular Weight: 458.511
• UNII: M501L2WP44
• DSSTox Substance ID: DTXSID60179302
• Nikkaji Number: J1.783.727C
• Wikipedia: Advantame
• Wikidata: Q16886625
• Mol file: 245650-17-3.mol

Synonyms:advantame;N-(N-(3-(3-hydroxy-4-methoxyphenyl) propyl)-alpha-aspartyl)-L-phenylalanine 1-methyl ester

Chemical Property of Advantame anhydrous

Chemical Property:

• PSA: 137.68000
• LogP: 2.89800
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 458.20530130
• Heavy Atom Count: 33
• Complexity: 624

Purity/Quality:

99% ^*data from raw suppliers

Advantame ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Advantame anhydrous

There total 6 articles about Advantame anhydrous 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: 93.0%

N-[N-[3-(3-hydroxy-4-methoxyphenyl)-propyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester → (3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (245650-17-3)

Guidance literature:

In methanol; water; ethyl acetate;

Reference yield:

3-(3-hydroxy-4-methoxyphenyl)-propionaldehyde (333754-84-0) + L-Asp-L-Phe-OMe (22839-47-0,7421-84-3) → (3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (245650-17-3)

Guidance literature:

palladium; In methanol; water;

Reference yield:

L-Asp-L-Phe-OMe (22839-47-0,7421-84-3) + 3-hydroxy-4-methoxycinnamalaldehyde → (3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (245650-17-3)

Guidance literature:

With sodium hydroxide; palladium; In methanol;

upstream raw materials:

3-(3-hydroxy-4-methoxyphenyl)-propionaldehyde

L-Asp-L-Phe-OMe

3-hydroxyl-4-methoxycinnamic aldehyde

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