4-Butylphenylacetylene

Base Information

• Chemical Name: 4-Butylphenylacetylene
• CAS No.: 79887-09-5
• Molecular Formula: C12H14
• Molecular Weight: 158.243
• Hs Code.: 29029090
• European Community (EC) Number: 628-381-4
• DSSTox Substance ID: DTXSID40379404
• Nikkaji Number: J1.580.861F
• Wikidata: Q72514295
• Mol file: 79887-09-5.mol

Synonyms:4-Butylphenylacetylene;79887-09-5;1-Butyl-4-ethynylbenzene;1-BUTYL-4-ETH-1-YNYLBENZENE;1-Butyl-4-eth1-ynylbenzene;4-n-Butylphenylacetylene;Benzene, 1-butyl-4-ethynyl-;P-BUTYLPHENYLACETYLENE;MFCD00173885;1-butyl-4-ethynyl-benzene;(p-butylphenyl)acetylene;1-ethynyl-4-butylbenzene;1-n-butyl-4-ethynylbenzene;1-eth-1-ynyl-4-butylbenzene;DTXSID40379404;1-Butyl-4-ethynylbenzene, 95%;ZVWWYEHVIRMJIE-UHFFFAOYSA-N;AKOS005146062;CS-W016197;DS-14234;SY018460;AM20060732;B2301;FT-0607561;FT-0687691;EN300-298703;A839778;J-504476

Chemical Property of 4-Butylphenylacetylene

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 0.131mmHg at 25°C
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 225.2 °C at 760 mmHg
• Flash Point: 80.4 °C
• PSA: 0.00000
• Density: 0.91 g/cm³
• LogP: 3.01050
• Storage Temp.: 0-10°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 158.109550447
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

4-Butylphenylacetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C#C
• Uses: 4-Butylphenylacetylene is a useful research chemical, an intermediates of Liquid Crystals.

Technology Process of 4-Butylphenylacetylene

There total 9 articles about 4-Butylphenylacetylene 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: 90.0%

1-(4-butylphenyl)-2-trimethylsilylacetylene (202524-78-5) → (4-butylphenyl)acetylene (79887-09-5)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃; for 4h;

DOI:10.1246/bcsj.20180081

Reference yield: 85.0%

3-methyl-1-(4'-butylphenyl)-1-butyne-3-ol (155906-12-0) → (4-butylphenyl)acetylene (79887-09-5)

Guidance literature:

With sodium hydroxide; In toluene; for 10h; Reflux;

DOI:10.1039/b905716a

Reference yield: 55.0%

p-bromobutylbenzene (41492-05-1) + trimethylsilylacetylene (1066-54-2) → (4-butylphenyl)acetylene (79887-09-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 90 ℃; for 21h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201802848

upstream raw materials:

1-(4-butylphenyl)-2-trimethylsilylacetylene

3-methyl-1-(4'-butylphenyl)-1-butyne-3-ol

p-bromobutylbenzene

4-(n-butyl)benzaldehyde

Downstream raw materials:

2-[(4-butylphenyl)ethynyl]-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

5-(4-Butyl-phenylethynyl)-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione

p-(p-butylphenylethynyl)bromobenzene

4-[(4-butylphenyl)ethynyl]-2-fluorobenzaldehyde