2,6-Difluorostyrene

Base Information

• Chemical Name: 2,6-Difluorostyrene
• CAS No.: 207226-37-7
• Molecular Formula: C8H6F2
• Molecular Weight: 140.13
• Hs Code.: 2903999090
• European Community (EC) Number: 625-475-7
• DSSTox Substance ID: DTXSID60380855
• Nikkaji Number: J811.768C
• Wikidata: Q72464276
• Mol file: 207226-37-7.mol

Synonyms:2,6-Difluorostyrene;207226-37-7;1,3-difluoro-2-vinylbenzene;2-ethenyl-1,3-difluorobenzene;Benzene, 2-ethenyl-1,3-difluoro-;MFCD00134389;SCHEMBL193995;SCHEMBL10108215;DTXSID60380855;SFHOANYKPCNYMB-UHFFFAOYSA-N;AM9969;AKOS009158714;PS-9048;AC-26209;CS-0267186;FT-0656216;EN300-1869339;J-507484;2,6-Difluorostyrene, 99%, contains 0.25% 4-tert-butylcatechol as inhibitor

Chemical Property of 2,6-Difluorostyrene

Chemical Property:

• Vapor Pressure: 8.42mmHg at 25°C
• Refractive Index: n20/D 1.499(lit.)
• Boiling Point: 138.3 °C at 760 mmHg
• Flash Point: 27.3 °C
• PSA: 0.00000
• Density: 1.131 g/cm³
• LogP: 2.60780
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.04375652
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Difluorostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16-33-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CC1=C(C=CC=C1F)F

Technology Process of 2,6-Difluorostyrene

There total 2 articles about 2,6-Difluorostyrene 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: 91.0%

2,6-difluorobenzaldehyde (437-81-0) + Methyltriphenylphosphonium bromide (1779-49-3) → 1,3-difluoro-2-vinyl-benzene (207226-37-7,791521-82-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

Reference yield:

(Z/E) 3-(2,6-difluorophenyl)acrylic acid (152152-09-5) → 1,3-difluoro-2-vinyl-benzene (207226-37-7,791521-82-9)

Guidance literature:

With ferulic acid decarboxylase from Saccharomyces cerevisae; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; for 18h; pH=6; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/cctc.201800643

Reference yield: 52.0%

tert-butyl 4-{4-[(Z/E)-(hydroxyimino)methyl]-1,3-thiazol-2-yl}piperidine-1-carboxylate (1313010-11-5) + 1,3-difluoro-2-vinyl-benzene (207226-37-7,791521-82-9) → tert-butyl 4-(4-(5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)piperidine-1-carboxylate

Guidance literature:

With N-chloro-succinimide; sodium hydrogencarbonate; In water; ethyl acetate; at 65 ℃; for 3h; Reagent/catalyst; Temperature; Solvent;

upstream raw materials:

2,6-difluorobenzaldehyde

Methyltriphenylphosphonium bromide

(Z/E) 3-(2,6-difluorophenyl)acrylic acid

Downstream raw materials:

(1S,2S,6R,8S)-4-[2-(2,6-Difluoro-phenyl)-ethyl]-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]decane

(1S,2S,6R,8S)-4-[(S)-1-Chloro-3-(2,6-difluoro-phenyl)-propyl]-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]decane

Refernces

• 1、 Aleku, Godwin A.,Prause, Christoph,Bradshaw-Allen, Ruth T.,Plasch, Katharina,Glueck, Silvia M.,Bailey, Samuel S.,Payne, Karl A. P.,Parker, David A.,Faber, Kurt,Leys, David. "Terminal Alkenes from Acrylic Acid Derivatives via Non-Oxidative Enzymatic Decarboxylation by Ferulic Acid Decarboxylases". . p. 3736 - 3745. Retrieved 2018/08/03.
• 2、 Sung, Jin Cho,Jensen, Niels H.,Kurome, Toru,Kadari, Sudhakar,Manzano, Michael L.,Malberg, Jessica E.,Caldarone, Barbara,Roth, Bryan L.,Kozikowski, Alan P.. "Selective 5-hydroxytryptamine 2c receptor agonists derived from the lead compound tranylcypromine: Identification of drugs with antidepressant-like action". experimental part. p. 1885 - 1902. Retrieved 2009/12/07.