Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy-

Base Information

• Chemical Name: Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy-
• CAS No.: 52571-00-3
• Molecular Formula: C11H13FO
• Molecular Weight: 180.222
• DSSTox Substance ID: DTXSID10477406
• Mol file: 52571-00-3.mol

Synonyms:52571-00-3;Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy-;DTXSID10477406

Chemical Property of Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.095043196
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C1=CC=C(C=C1)OC)F)C

Technology Process of Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy-

There total 16 articles about Benzene, 1-(1-fluoro-2-methyl-1-propenyl)-4-methoxy- 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: 78.0%

acetone (67-64-1) + diethyl α-fluoro-4-methoxybenzylphosphonate (196514-50-8) → 1-Fluor-1-(4-methoxyphenyl)-2-methyl-1-propen (52571-00-3)

Guidance literature:

diethyl α-fluoro-4-methoxybenzylphosphonate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -70 ℃;

acetone; In tetrahydrofuran; hexane; at -70 - 20 ℃;

DOI:10.2533/000942904777678217

Reference yield:

1-(4-methoxyphenyl)-2-methylprop-1-enyl bromide (40811-05-0) + cyclohexene (110-83-8) → 1-Fluor-1-(4-methoxyphenyl)-2-methyl-1-propen (52571-00-3) + 8-(4-Methoxyphenyl)-7,7-dimethylbicyclo<4.2.0>oct-1(8)-en (70891-78-0) + 1-(2-Fluorcyclohexyl)-1-(4-methoxyphenyl)-2-methyl-1-propen (70891-79-1)

Guidance literature:

With silver tetrafluoroborate; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(01)90152-2

Reference yield:

1-butylene (106-98-9,9003-28-5) + 1-(4-methoxyphenyl)-2-methylprop-1-enyl bromide (40811-05-0) → 1-Fluor-1-(4-methoxyphenyl)-2-methyl-1-propen (52571-00-3) + 1-(4-Methoxyphenyl)-2,3,4,4-tetramethyl-1-cyclobuten (78034-97-6)

Guidance literature:

With silver tetrafluoroborate; In dichloromethane; at -25 ℃; for 24h;

DOI:10.1016/S0040-4039(01)90152-2

upstream raw materials:

1-(2-Bromo-1-fluoro-2-methyl-propyl)-4-methoxy-benzene

1-butylene

1-(4-methoxyphenyl)-2-methylprop-1-enyl bromide

cis-Cyclooctene

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