1-(1-Fluoroethenyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(1-Fluoroethenyl)-4-methylbenzene
• CAS No.: 66472-50-2
• Molecular Formula: C9H9F
• Molecular Weight: 136.169
• DSSTox Substance ID: DTXSID60567962
• Wikidata: Q82454032
• Mol file: 66472-50-2.mol

Synonyms:1-(1-Fluoroethenyl)-4-methylbenzene;66472-50-2;1-(1-fluorovinyl)-4-methylbenzene;SCHEMBL3126262;DTXSID60567962;SEMWUIDVJMLIEX-UHFFFAOYSA-N;1-(1-fluoro-vinyl)-4-methyl-benzene;AKOS026713992;F1967-2979

Chemical Property of 1-(1-Fluoroethenyl)-4-methylbenzene

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.068828449
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(1-Fluoroethenyl)-4-methylbenzene

There total 6 articles about 1-(1-Fluoroethenyl)-4-methylbenzene 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: 85.0%

1-(2-bromo-1-fluoro-1-ethyl)-4-methyl-benzene (66472-41-1) → 1-(1-fluorovinyl)-4-methylbenzene (66472-50-2)

Guidance literature:

With potassium tert-butylate; In pentane; at 0 - 20 ℃; for 1h; Heating / reflux;

Reference yield: 27.0%

4-n-methylphenylacetylene (766-97-2) → 1-(1-fluorovinyl)-4-methylbenzene (66472-50-2)

Guidance literature:

With lithium tetrafluoroborate; 2,6-dichloropyridinium tetrafluoroborate; In chloroform; at 40 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.202006278

Reference yield: 17.0%

4-n-methylphenylacetylene (766-97-2) → 1-(1-fluorovinyl)-4-methylbenzene (66472-50-2) + 1-(1,1-difluoroethyl)-4-methylbenzene

Guidance literature:

With HF loaded on aluminium chlorofluoride; In benzene-d6; at 70 ℃; for 24h; Schlenk technique;

DOI:10.1002/chem.202001627

upstream raw materials:

1-(2-bromo-1-fluoro-1-ethyl)-4-methyl-benzene

1-ethenyl-4-methylbenzene

4-methyl-α,α-difluorotoluene

formaldehyd

Downstream raw materials:

rac-2-fluoro-2-(4-methylphenyl)cyclopropanecarboxylic acid ethyl ester

rac-2-fluoro-2-(4-methylphenyl)cyclopropanecarboxylic acid ethyl ester

C₁₃H₁₅FO₂

C₁₃H₁₅FO₂