1'-Methoxysafrole

Base Information

• Chemical Name: 1'-Methoxysafrole
• CAS No.: 40581-87-1
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• UNII: NIS0C9592Y
• Wikidata: Q27896700

Synonyms:1'-Methoxysafrole;NIS0C9592Y;UNII-NIS0C9592Y;1,3-Benzodioxole, 5-(1-methoxy-2-propenyl)-;1,3-Benzodioxole, 5-(1-methoxy-2-propen-1-yl)-;40581-87-1;Q27896700

Chemical Property of 1'-Methoxysafrole

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(C=C)C1=CC2=C(C=C1)OCO2

Technology Process of 1'-Methoxysafrole

There total 1 articles about 1'-Methoxysafrole 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: 100.0%

O-[3-(3,4-methylenedioxyphenyl)-2-propenyl]vanillin + methanol (67-56-1) → 5-(1-Methoxy-allyl)-benzo[1,3]dioxole (40581-87-1) + vanillin (121-33-5,8014-42-4) + trans-1,2-methylenedioxy-4-(3'-methoxy-1'-propenyl)benzene (84782-36-5)

Guidance literature:

With potassium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 20 ℃; for 1.5h;

DOI:10.1016/j.tet.2004.05.097

Reference yield: 52.0%

5-(1-Methoxy-allyl)-benzo[1,3]dioxole (40581-87-1) → dihydrosafrole (94-58-6) + 5-(1-methoxypropyl)-1,3-benzodioxolane (73455-03-5)

Guidance literature:

With potassium hydroxide; palladium on activated charcoal; at 20 ℃; for 22h;

DOI:10.1016/j.tet.2004.05.097

upstream raw materials:

methanol

Downstream raw materials:

dihydrosafrole

5-(1-methoxypropyl)-1,3-benzodioxolane

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