2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)-
• CAS No.: 80235-04-7
• Molecular Formula: C23H24O6
• Molecular Weight: 396.44
• Nikkaji Number: J21.387J
• Mol file: 80235-04-7.mol

Synonyms:80235-04-7;2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)-;tinifoline;Tinifolin

Chemical Property of 2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)-

Chemical Property:

• Vapor Pressure: 5.47E-14mmHg at 25°C
• Boiling Point: 573.4°Cat760mmHg
• Flash Point: 197.1°C
• PSA: 85.36000
• Density: 1.246g/cm³
• LogP: 3.22240
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 396.15728848
• Heavy Atom Count: 29
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1=C(C=CC(=C1)CO)C2(CO2)COC(=O)C=CC3=CC=CC=C3
• Isomeric SMILES: CC(C)C(=O)OC1=C(C=CC(=C1)CO)C2(CO2)COC(=O)/C=C/C3=CC=CC=C3

Technology Process of 2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)-

There total 1 articles about 2-Propenoic acid, 3-phenyl-, (2-(4-(hydroxymethyl)-2-(2-methyl-1-oxopropoxy)phenyl)oxiranyl)methyl ester, (2E)- 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:

areolal → 10-cinnamoyloxy-7-hydroxy-8,9-epoxythymol isobutyrate (80235-04-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 0.5h; Ambient temperature;

DOI:10.1016/S0031-9422(00)81250-9

Reference yield:

10-cinnamoyloxy-7-hydroxy-8,9-epoxythymol isobutyrate (80235-04-7) → (E)-3-phenylacrylic acid (140-10-3) + isobutyric Acid (79-31-2) + 3,6-dichloromethylbenzofuran + 7,8,9-trihydroxy-10-methoxythymol

Guidance literature:

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

Reference yield:

10-cinnamoyloxy-7-hydroxy-8,9-epoxythymol isobutyrate (80235-04-7) → (E)-3-phenylacrylic acid (140-10-3) + isobutyric Acid (79-31-2) + 3,6-dichloromethylbenzofuran + 7,8,9-trihydroxy-10-ethoxythymol

Guidance literature:

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

Downstream raw materials:

(E)-3-phenylacrylic acid

isobutyric Acid