3-(4-Fluorophenyl)-2-methyl-1-propene

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-2-methyl-1-propene
• CAS No.: 702-08-9
• Molecular Formula: C10H11F
• Molecular Weight: 150.19
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80449655
• Nikkaji Number: J2.796.127D
• Wikidata: Q82269178
• Mol file: 702-08-9.mol

Synonyms:3-(4-FLUOROPHENYL)-2-METHYL-1-PROPENE;702-08-9;1-fluoro-4-(2-methylprop-2-enyl)benzene;MFCD07698635;SCHEMBL8271141;DTXSID80449655;AKOS006287747;2-Methyl-3-(4-fluorophenyl)-1-propene;1-fluoro-4-(2-methylprop-2-en-1-yl)benzene

Chemical Property of 3-(4-Fluorophenyl)-2-methyl-1-propene

Chemical Property:

• Vapor Pressure: 0.946mmHg at 25°C
• Boiling Point: 185.662°C at 760 mmHg
• Flash Point: 57.974°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 2.94430
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.084478513
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

3-(4-fluorophenyl)-2-methyl-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CC1=CC=C(C=C1)F

Technology Process of 3-(4-Fluorophenyl)-2-methyl-1-propene

There total 6 articles about 3-(4-Fluorophenyl)-2-methyl-1-propene 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: 88.0%

1-fluoro-4-(2-methylprop-1-en-1-yl)benzene (702-09-0) → 3-(4-fluorophenyl)-2-methyl-propene (702-08-9)

Guidance literature:

With dibromo(dimethylglyoxime)(dimethylglyoximato)cobalt(III); sodium decatungstate; In acetone; at 20 ℃; for 18h; regiospecific reaction; Irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.1c12043

Reference yield: 75.0%

2-phenyl-indole (948-65-2) + C11H12FN (1397290-31-1) → 1-fluoro-4-(2-methylprop-1-en-1-yl)benzene (702-09-0) + 3-(4-fluorophenyl)-2-methyl-propene (702-08-9) + 2-phenyl-1H-indole-3-carbonitrile (51072-85-6)

Guidance literature:

With palladium diacetate; copper(II) trifluoroacetate; In 1,2-dichloro-ethane; at 70 ℃; for 1h;

DOI:10.1021/ol302372p

Reference yield: 74.0%

2-methylprop-2-ene-1-sulfonyl chloride (14568-34-4) + 4-flourophenylmagnesium bromide (352-13-6) → 3-(4-fluorophenyl)-2-methyl-propene (702-08-9)

Guidance literature:

With iron(III) acetylacetonate; In tetrahydrofuran; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1002/ejoc.200900927

upstream raw materials:

2-methylprop-2-ene-1-sulfonyl chloride

4-flourophenylmagnesium bromide

2-phenyl-indole

C₁₁H₁₂FN

Downstream raw materials:

N-Formyl-α,α-dimethyl-4-fluorphenethylamin

1-fluoro-4-isobutylbenzene

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