(2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid

Base Information

• Chemical Name: (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid
• CAS No.: 85146-09-4
• Molecular Formula: C₂₃H₂₇NO₆
• Molecular Weight: 413.47
• Mol file: 85146-09-4.mol

Synonyms:(2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid;85146-09-4;L-Phenylalanine, N-acetyl-beta-methyl-, (1R,2E,4Z,6E)-7-carboxy-1-((2S)-2-methyloxiranyl)-2,4,6-heptatrienyl ester, (betaS)-

Chemical Property of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid

Chemical Property:

• Vapor Pressure: 4.19E-18mmHg at 25°C
• Boiling Point: 656°Cat760mmHg
• Flash Point: 350.5°C
• Density: 1.205g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 413.18383758
• Heavy Atom Count: 30
• Complexity: 707

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)C(C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C)NC(=O)C
• Isomeric SMILES: CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C/C=C/C(=O)O)C2(CO2)C)NC(=O)C

Technology Process of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid

There total 1 articles about (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic 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:

(8R,9S)-9,10-epoxy-8-hydroxy-9-methyl-deca-(2E,4Z,6E)-trienoic acid (125555-66-0,125582-64-1,127702-86-7) → (2E,4E,6E)-(R)-8-((2S,3S)-2-Acetylamino-3-phenyl-butyryloxy)-8-((R)-2-methyl-oxiranyl)-octa-2,4,6-trienoic acid (85146-09-4,127760-21-8,127760-22-9)

Guidance literature:

Alternarie alternata Japanese Pear Pathotype Isolate AK-I;

Reference yield:

8-(α-acetylamino-β-methyl-β-phenyl-propionyloxy)-9,10-epoxy-9-methyl-2E,4Z,6E-decatrienoic acid (85146-09-4,127760-21-8,127760-22-9) → 8-(2-Acetylamino-3-phenyl-butyryloxy)-8-(2-methyl-oxiranyl)-octanoic acid

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

DOI:10.1016/S0040-4039(00)85630-0

Reference yield:

AK-toxin I (85146-09-4,127760-21-8,127760-22-9) → hexahydro AK-toxin I

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; for 1h;

DOI:10.1271/bbb1961.49.807

upstream raw materials:

(8R,9S)-9,10-epoxy-8-hydroxy-9-methyl-deca-(2E,4Z,6E)-trienoic acid

Downstream raw materials:

(2S,3S)-methylphenylalanine