7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin

Base Information

• Chemical Name: 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin
• CAS No.: 97792-42-2
• Molecular Formula: C40H44N4O9
• Molecular Weight: 724.8
• Mol file: 97792-42-2.mol

Synonyms:7-(N-benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin;7-Z-B-Asp-Pro-Leu-ME

Chemical Property of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 154 - 156 °C (petroleum ether)
• Boiling Point: 985.3°C at 760 mmHg
• Flash Point: 549.7°C
• PSA: 173.35000
• Density: 1.291g/cm³
• LogP: 5.78300
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 724.31082899
• Heavy Atom Count: 53
• Complexity: 1340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)C3CCCN3C(=O)C(CC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
• Isomeric SMILES: CCC(C)[C@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Technology Process of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin

There total 1 articles about 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin 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: 76.0%

Nα-benzyloxycarbonyl-β-benzyl-L-aspartyl-L-proline (97792-41-1) + 7-(L-leucyl)amino-4-methylcoumarine hydrochloride (62480-44-8) → 7-(Nα-benzyloxycarbonyl-β-benzyl-L-aspartyl-L-prolyl-L-leucyl)amino-4-methylcoumarin (97792-42-2)

Guidance literature:

With sodium hydroxide; In acetonitrile; 1.) 0 deg C; 2.) room temp., 12 h;

DOI:10.1248/cpb.33.1721

Reference yield: 72.0%

7-(Nα-benzyloxycarbonyl-β-benzyl-L-aspartyl-L-prolyl-L-leucyl)amino-4-methylcoumarin (97792-42-2) → 7-(Nα-benzyloxycarbonyl-L-α-aspartyl-L-prolyl-L-leucyl)amino-4-methylcoumarin (97792-40-0)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Ambient temperature;

DOI:10.1248/cpb.33.1721

upstream raw materials:

N^α-benzyloxycarbonyl-β-benzyl-L-aspartyl-L-proline

7-(L-leucyl)amino-4-methylcoumarine hydrochloride

Downstream raw materials:

7-(N^α-benzyloxycarbonyl-L-α-aspartyl-L-prolyl-L-leucyl)amino-4-methylcoumarin

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