4-Ethynyl-4'-propyl-1,1'-biphenyl

Base Information

• Chemical Name: 4-Ethynyl-4'-propyl-1,1'-biphenyl
• CAS No.: 360768-57-6
• Molecular Formula: C17H16
• Molecular Weight: 220.30900
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID50600251
• Nikkaji Number: J1.577.955A
• Wikidata: Q72477865
• Mol file: 360768-57-6.mol

Synonyms:4-Ethynyl-4'-propyl-1,1'-biphenyl;360768-57-6;4-Ethynyl-4'-propylbiphenyl;1-ethynyl-4-(4-propylphenyl)benzene;MFCD18072535;DTXSID50600251;AKOS015909766;SB66916;4-Ethynyl-4''-propyl-1,1''-biphenyl;DS-13541;SY116032;DB-069308;CS-0152417;T72362;4-Ethynyl-4 inverted exclamation mark -propylbiphenyl

Chemical Property of 4-Ethynyl-4'-propyl-1,1'-biphenyl

Chemical Property:

• Boiling Point: 332.8±31.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.01±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 4.28740
• Storage Temp.: 2-8°C
• Solubility.: soluble in Toluene
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 220.125200510
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99%, ^*data from raw suppliers

4-Ethynyl-4'-propylbiphenyl >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C

Technology Process of 4-Ethynyl-4'-propyl-1,1'-biphenyl

There total 6 articles about 4-Ethynyl-4'-propyl-1,1'-biphenyl 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: 82.0%

4-propylbiphenylacetylene trimethylsilane → 4-ethenyl-4'-propyl-1,1'-biphenyl (360768-57-6)

Guidance literature:

With potassium hydroxide; In toluene; for 6h; Reflux; Inert atmosphere;

Reference yield: 56.0%

2-methyl-2-hydroxy-3-butynyl-p-propylbiphenyl → 4-ethenyl-4'-propyl-1,1'-biphenyl (360768-57-6)

Guidance literature:

With ethanol; potassium hydroxide; Reflux;

Reference yield:

4-n-propyl-4'-bromobiphenyl (58743-81-0) → 4-ethenyl-4'-propyl-1,1'-biphenyl (360768-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; copper(l) iodide / Inert atmosphere; Reflux

2: potassium hydroxide; ethanol / Reflux

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; ethanol; triethylamine; triphenylphosphine; potassium hydroxide;

upstream raw materials:

4-n-propyl-4'-bromobiphenyl

1-biphenyl-4-yl-propan-1-one

4-propyl-1,1'-biphenyl

Downstream raw materials:

1-(4'-propyl-[1,1'-biphenyl]-4-yl)ethanone

Refernces

• 1、 -. "Compounds containing 4-(p-biphenylacetylene)-1,8-naphthalic anhydride as well as preparation method and application of compounds". Paragraph 0030; 0035; 0036; 0037. . Retrieved 2019/01/14.