1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene

Base Information

• Chemical Name: 1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene
• CAS No.: 54961-01-2
• Molecular Formula: C14H20O3
• Molecular Weight: 236.311
• DSSTox Substance ID: DTXSID60553042
• Nikkaji Number: J2.484.093J
• Mol file: 54961-01-2.mol

Synonyms:54961-01-2;1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene;SCHEMBL8699343;DTXSID60553042

Chemical Property of 1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C=C(C=C1OC)OC)OC)C

Technology Process of 1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene

There total 10 articles about 1,3,5-Trimethoxy-2-(3-methylbut-2-en-1-yl)benzene 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: 94.0%

1,2,3-trimethoxybenzene (621-23-8) + prenyl bromide (870-63-3) → 4-(2,4,6-trimethoxyphenyl)-2-methylbut-2-ene (54961-01-2)

Guidance literature:

1,2,3-trimethoxybenzene; With n-butyllithium; In hexane; cyclohexane; for 0.5h; Heating;

prenyl bromide; In hexane; cyclohexane; for 2h; Heating;

DOI:10.1002/1521-4184(200102)334:2<53::AID-ARDP53>3.0.CO;2-C

Reference yield: 75.0%

2-(3-Hydroxy-3-methylbutyl)-1,3,5-trimethoxybenzol (54961-02-3) → 4-(2,4,6-trimethoxyphenyl)-2-methylbut-2-ene (54961-01-2) + 1,3,5-Trimethoxy-2-(3-methyl-but-3-enyl)-benzene

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Yields of byproduct given; Heating;

DOI:10.3987/COM-94-6744

Reference yield: 61.0%

1,2,3-trimethoxybenzene (621-23-8) + prenyl diisopropyl phosphate (83036-58-2) → 4-(2,4,6-trimethoxyphenyl)-2-methylbut-2-ene (54961-01-2)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1246/cl.1982.797

upstream raw materials:

1,2,3-trimethoxybenzene

prenyl diisopropyl phosphate

2-(3-methylbuta-2-enyl)-1,3,5-trihydroxybenzene

dimethyl sulfate

Downstream raw materials:

3-prenyl-2,4,6-trimethoxybenzaldehyde