4-(2-Fluorophenyl)-1-butene

Base Information

• Chemical Name: 4-(2-Fluorophenyl)-1-butene
• CAS No.: 71813-51-9
• Molecular Formula: C10H11F
• Molecular Weight: 150.196
• DSSTox Substance ID: DTXSID90596260
• Nikkaji Number: J270.455B
• Wikidata: Q82491476
• Mol file: 71813-51-9.mol

Synonyms:4-(2-FLUOROPHENYL)-1-BUTENE;71813-51-9;1-but-3-enyl-2-fluorobenzene;MFCD07698617;SCHEMBL7563209;DTXSID90596260;1-(3-Buten-1-yl)-2-fluorobenzene;AKOS006287294;1-(But-3-en-1-yl)-2-fluorobenzene;DB-183816

Chemical Property of 4-(2-Fluorophenyl)-1-butene

Chemical Property:

• Vapor Pressure: 1.32mmHg at 25°C
• Boiling Point: 178.7°C at 760 mmHg
• Flash Point: 53.5°C
• PSA: 0.00000
• Density: 0.971g/cm³
• LogP: 2.94430
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.084478513
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Fluorophenyl)-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=CC=C1F

Technology Process of 4-(2-Fluorophenyl)-1-butene

There total 14 articles about 4-(2-Fluorophenyl)-1-butene 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: 93.0%

o-fluorobenzyl bromide (446-48-0) + allylmagnesium bromide (2622-05-1) → 1-(but-3-en-1-yl)-2-fluorobenzene (71813-51-9)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201802466

Reference yield: 76.0%

2-fluorobenzyl chloride (345-35-7) + allyl bromide (106-95-6) → 1-(but-3-en-1-yl)-2-fluorobenzene (71813-51-9)

Guidance literature:

With magnesium; In diethyl ether; for 20h; Heating;

DOI:10.1021/ja00276a032

Reference yield: 15.0%

1-(but-3-en-1-yl)-2-iodobenzene (24892-64-6) → 4-Phenylbut-1-ene (768-56-9) + 1-(but-3-en-1-yl)-2-fluorobenzene (71813-51-9)

Guidance literature:

With copper(I) trifluoromethanesulfonate bis(trimethylacetonitrile) complex; silver fluoride; In N,N-dimethyl-formamide; at 140 ℃; for 22h; Inert atmosphere;

DOI:10.1021/ja304410x

upstream raw materials:

2-fluorobenzyl chloride

allyl bromide

1-(but-3-en-1-yl)-2-iodobenzene

2-(2-nitrophenyl)acetic acid

Downstream raw materials:

1-methylindane

4-Phenylbut-1-ene

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