1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene)

Base Information

• Chemical Name: 1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene)
• CAS No.: 3311-94-2
• Molecular Formula: C16H13 Cl F2
• Molecular Weight: 278.729
• Hs Code.: 2903999090
• European Community (EC) Number: 221-996-5
• UNII: C9BB89NC7U
• DSSTox Substance ID: DTXSID00186777
• Nikkaji Number: J205.390J
• Mol file: 3311-94-2.mol

Synonyms:3311-94-2;1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene);EINECS 221-996-5;1-[4-chloro-1-(4-fluorophenyl)but-1-enyl]-4-fluorobenzene;1,1'-(4-Chloro-1-butenylidene)bis[4-fluorobenzene];1,1-bis(4-fluorophenyl)-4-chloro-1-butene;Benzene, 1,1'-(4-chloro-1-butenylidene)bis(4-fluoro-;Benzene, 1,1'-(4-chloro-1-butenylidene)bis[4-fluoro-;C9BB89NC7U;C16H13ClF2;SCHEMBL5636607;C16-H13-Cl-F2;DTXSID00186777;4,4-bis(4-fluorophenyl)-3-butenyl chloride;1-Butene, 4-chloro-1,1-bis(p-fluorophenyl)-

Chemical Property of 1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene)

Chemical Property:

• Boiling Point: 375.5°Cat760mmHg
• Flash Point: 209.9°C
• PSA: 0.00000
• Density: 1.195g/cm³
• LogP: 5.02540
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 278.0673844
• Heavy Atom Count: 19
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=CCCCl)C2=CC=C(C=C2)F)F

Technology Process of 1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene)

There total 6 articles about 1,1'-(4-Chloro-1-butenylidene)bis(4-fluorobenzene) 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: 97.0%

di(p-fluorophenyl)methylenecyclopropane → 4,4-bis(4-fluorophenyl)-3-butenyl chloride (3311-94-2)

Guidance literature:

With acetic acid; lithium chloride; at 80 ℃; for 5h;

DOI:10.1016/j.tet.2003.12.061

Reference yield: 50.9%

δ-Hydroxy-δ-bis(p-fluorophenyl)butyl chloride (51787-80-5) → 4,4-bis(4-fluorophenyl)-3-butenyl chloride (3311-94-2)

Guidance literature:

With sulfuric acid;

Reference yield:

4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → 4,4-bis(4-fluorophenyl)-3-butenyl chloride (3311-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 88.4 percent / diethyl ether / Heating

2: 50.9 percent / aq. 60percent H₂SO₄

With sulfuric acid; In diethyl ether;

upstream raw materials:

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

1-Bromo-4-fluorobenzene

δ-Hydroxy-δ-bis(p-fluorophenyl)butyl chloride

4-flourophenylmagnesium bromide

Downstream raw materials:

4-(4-Benzamidopiperid-1-yl)-1,1-(di-p-fluorophenyl)but-1-ene

1'-[4,4-bis(4-fluorophenyl)-3-butenyl]-5-chlorospiro[benzofuran-2(3H)4'-piperidine]oxalate

2-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole

Refernces

• 1、 Dhaon, Madhup K.,Kumar, Naresh,Agarwal, Shiv K.,Saxena, Anil K.,Jain, Padam C.,Anand, Nitya. "Agents Acting on CNS: Part XXX - Synthesis of 2-Substituted 1,2,3,4,6,7,12,12a-Octahydropyrazinopyrido-indoles". . p. 882 - 885. Retrieved 2007/10/02.