(3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene

Base Information

• Chemical Name: (3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene
• CAS No.: 313-28-0
• Molecular Formula: C10H6 F4
• Molecular Weight: 202.151
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10606416
• Wikidata: Q82505162
• Mol file: 313-28-0.mol

Synonyms:313-28-0;(3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene;(3,3,4,4-tetrafluorocyclobuten-1-yl)benzene;(3,3,4,4-Tetrafluorocyclobut-1-en-1-yl)benzene;(3,3,4,4-tetrafluorocyclobut-1-enyl)benzene;(3,3,4,4-tetrafluoro-cyclobut-1-enyl)benzene;SCHEMBL11414525;DTXSID10606416;BHCNNWHXJDOTPE-UHFFFAOYSA-N;MFCD07777213;AKOS017344320

Chemical Property of (3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene

Chemical Property:

• Boiling Point: 168.5±40.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.35420
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.04056284
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

(3,3,4,4-Tetrafluorocyclobut-1-en-1-yl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(C2(F)F)(F)F

Technology Process of (3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene

There total 1 articles about (3,3,4,4-Tetrafluoro-cyclobut-1-enyl)-benzene 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:

polytetrafluoroethylene (116-14-3,82785-14-6) + phenylacetylene (536-74-3) → 3,3,4,4-Tetrafluor-1-phenyl-cyclobuten-(1) (313-28-0)

Guidance literature:

at 160 ℃; for 16h;

DOI:10.1021/ja01463a030

Reference yield:

3,3,4,4-Tetrafluor-1-phenyl-cyclobuten-(1) (313-28-0) → 3-phenyl-3-cyclobutene-1,2-dione (3947-97-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01492a061

Reference yield:

3,3,4,4-Tetrafluor-1-phenyl-cyclobuten-(1) (313-28-0) → 3-methoxy-4-phenylcyclobutenedione (711-78-4)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄

2: Br₂, AcOH, Ac₂O

3: aq. AcOH

4: diethyl ether

With sulfuric acid; bromine; acetic anhydride; acetic acid; In diethyl ether;

DOI:10.1021/ja01492a061

upstream raw materials:

polytetrafluoroethylene

phenylacetylene

Downstream raw materials:

1,1,2,2-tetrafluoro-3-phenylcyclobutane

1,1,4,4-Tetrafluor-2-phenyl-butadien

3-phenyl-3-cyclobutene-1,2-dione

4,4-Difluoro-3-phenyl-cyclobuten-⁽²⁾-on-⁽¹⁾