Isoeugenol benzyl ether

Base Information

• Chemical Name: Isoeugenol benzyl ether
• CAS No.: 128839-47-4
• Molecular Formula: C₁₇H₁₈O₂
• Molecular Weight: 254.329
• NSC Number: 46157
• UNII: 78Q46SZU33
• DSSTox Substance ID: DTXSID401348835
• Nikkaji Number: J429.857H
• RXCUI: 2467141
• Metabolomics Workbench ID: 45240
• Mol file: 128839-47-4.mol

Synonyms:benzyl 2-methoxy-4-propenylphenyl ether;benzyl isoeugenol;isoeugenol benzyl ether

Chemical Property of Isoeugenol benzyl ether

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
• Isomeric SMILES: C/C=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Technology Process of Isoeugenol benzyl ether

There total 2 articles about Isoeugenol benzyl ether 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:

4-allyl-1-benzyloxy-2-methoxybenzene (57371-42-3) → (Z)-1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene (128839-47-4) + (E)-2-methoxy-1-(phenylmethoxy)-4-(prop-1-en-1-yl)benzene (92666-21-2)

Guidance literature:

With palladium (II) acetate; water; bis(pinacol)diborane; tricyclohexylphosphine; In toluene; at 20 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.7b00580

Reference yield:

benzyl bromide (100-39-0) → (Z)-1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene (128839-47-4)

Guidance literature:

With ethanol;

upstream raw materials:

benzyl bromide

4-allyl-1-benzyloxy-2-methoxybenzene