2-Fluorostyrene

Base Information

• Chemical Name: 2-Fluorostyrene
• CAS No.: 394-46-7
• Molecular Formula: C8H7F
• Molecular Weight: 122.142
• Hs Code.: 29039990
• European Community (EC) Number: 206-896-1
• DSSTox Substance ID: DTXSID90192589
• Nikkaji Number: J213.631G
• Wikidata: Q72477038
• Mol file: 394-46-7.mol

Synonyms:2-Fluorostyrene;394-46-7;1-Fluoro-2-vinylbenzene;o-Fluorostyrene;1-ethenyl-2-fluorobenzene;Benzene, 1-ethenyl-2-fluoro-;Benzene, ethenylfluoro-;EINECS 206-896-1;2-Fluorostyrene, stab with 0.1% 4-tert-butylcatechol;2-Fluorostyrene, 98%;1-fluoro-2-vinyl-benzene;2-fluoro-styrene;MFCD00013550;1-Fluoro-2-vinylbenzene #;SCHEMBL50061;DTXSID90192589;BBL104149;CK2532;STL557963;AKOS009158466;AM61526;PS-9215;FT-0612455;EN300-60997;A824553;W-106430;2-Fluorostyrene, contains 4-tert-butylcatechol as inhibitor, 98%

Chemical Property of 2-Fluorostyrene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 3.16mmHg at 25°C
• Refractive Index: n20/D 1.52(lit.)
• Boiling Point: 160.1 °C at 760 mmHg
• Flash Point: 31.3 °C
• PSA: 0.00000
• Density: 1.021 g/cm³
• LogP: 2.46870
• Storage Temp.: 0-6°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.053178385
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

99.9% ^*data from raw suppliers

2-Fluorostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F， Xi
• Hazard Codes: F,Xi
• Statements: 10-36/37/38
• Safety Statements: 16-33-36/37/39-27-26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CC1=CC=CC=C1F
• Uses: It finds its application in the homo- and cross-olefin metathesis coupling of vinylphosphane oxides and electron-poor alkenes.

Technology Process of 2-Fluorostyrene

There total 14 articles about 2-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: 76.0%

(2-fluorophenyl)acetylene (766-49-4) → 2-fluorostyrene (394-46-7)

Guidance literature:

With silver(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; C₁₉H₁₃I₂N₃O₂Ru; hydrogen; In isopropyl alcohol; at 80 ℃; for 4h; under 3750.38 Torr; chemoselective reaction; Autoclave; Schlenk technique;

DOI:10.1021/acs.organomet.0c00413

Reference yield: 66.0%

Triethoxyvinylsilane (78-08-0) + 1-Fluoro-2-iodobenzene (348-52-7) → 2-fluorostyrene (394-46-7)

Guidance literature:

With sodium hydroxide; In methanol; water; at 100 ℃; for 5h; Sealed tube;

DOI:10.1002/ejoc.201400162

Reference yield:

Methyltriphenylphosphonium bromide (1779-49-3) + 2-Fluorobenzaldehyde (446-52-6) → 2-fluorostyrene (394-46-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/asia.201500497

upstream raw materials:

2-fluorocinnamic acid

methyl triphenylphosphonium bromide

2-Fluorobenzaldehyde

2-Fluoroaniline

Downstream raw materials:

(E)-3-(2-Fluoro-phenyl)-acrylamide

4-(2-Fluoro-phenyl)-azetidin-2-one

4-(methoxycarbonyl)benzyl alcohol

3-(2-fluorophenyl)propanal

Refernces

• 1、 Inada, Haruki,Shibuya, Masatoshi,Yamamoto, Yoshihiko. "Synthesis of Unprotected 2-Arylglycines by Transamination of Arylglyoxylic Acids with 2-(2-Chlorophenyl)glycine". . p. 11047 - 11059. Retrieved 2020/10/12.
• 2、 Guan, Qiaoqiao,Jiang, Hai-Long,Li, Luyan,Lu, Junling,Yang, Qihao,Yang, Weijie,Yu, Shu-Hong. "Accelerating Chemo- And Regioselective Hydrogenation of Alkynes over Bimetallic Nanoparticles in a Metal-Organic Framework". . p. 7753 - 7762. Retrieved 2020/08/21.