2-Chloro-6-fluorostyrene

Base Information

• Chemical Name: 2-Chloro-6-fluorostyrene
• CAS No.: 196862-01-8
• Molecular Formula: C8H6ClF
• Molecular Weight: 156.587
• Hs Code.: 2904100090
• DSSTox Substance ID: DTXSID80479215
• Nikkaji Number: J895.945E
• Mol file: 196862-01-8.mol

Synonyms:2-chloro-6-fluorostyrene;196862-01-8;1-chloro-2-ethenyl-3-fluorobenzene;Benzene, 1-chloro-2-ethenyl-3-fluoro-;SCHEMBL3339035;DTXSID80479215;QZJOXVRGPDLFBA-UHFFFAOYSA-N;1-chloro-3-fluoro-2-vinylbenzene;AKOS013992406;CS-0239401;EN300-211960

Chemical Property of 2-Chloro-6-fluorostyrene

Chemical Property:

• Boiling Point: 182.8±20.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 3.12210
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0142060
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-2-ETHENYL-3-FLUOROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=C(C=CC=C1Cl)F

Technology Process of 2-Chloro-6-fluorostyrene

There total 5 articles about 2-Chloro-6-fluorostyrene 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: 81.0%

1-[1-(2-Chloro-6-fluoro-phenyl)-2-trimethylsilanyl-ethyl]-1H-benzotriazole (196861-97-9) → 1-chloro-3-fluoro-2-vinylbenzene (196862-01-8)

Guidance literature:

With 18-crown-6 ether; cesium fluoride; In N,N-dimethyl-formamide; at 100 ℃; for 120h;

DOI:10.1021/ja972037y

Reference yield: 43.0%

2-chloro-6-fluorobenzaldehyde (387-45-1) + Methyltriphenylphosphonium bromide (1779-49-3) → 1-chloro-3-fluoro-2-vinylbenzene (196862-01-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In diethyl ether; Inert atmosphere; Schlenk technique;

2-chloro-6-fluorobenzaldehyde; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.0c04306

Reference yield:

2-chloro-6 fluorobenzyl chloride (55117-15-2) → 1-chloro-3-fluoro-2-vinylbenzene (196862-01-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 94 percent / toluene / 24 h / Heating

2: 1.) n-BuLi / 1.) THF, -78 deg C, 2.) THF, -78 deg C -> rt

3: 77 percent / TBAF / tetrahydrofuran / 4 h / Heating; other reagent, solvent, temperature, reaction time

With n-butyllithium; tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene;

DOI:10.1021/ja972037y

upstream raw materials:

1-[1-(2-Chloro-6-fluoro-phenyl)-2-trimethylsilanyl-ethyl]-1H-benzotriazole

2-chloro-6 fluorobenzyl chloride

1-(2-Chloro-6-fluoro-benzyl)-1H-benzotriazole

2-chloro-6-fluorobenzaldehyde

Downstream raw materials:

4-fluoro-1-indanone

1-chloro-2-ethyl-3-fluorobenzene