4-Phenyl-1-butyne

Base Information

• Chemical Name: 4-Phenyl-1-butyne
• CAS No.: 16520-62-0
• Molecular Formula: C10H10
• Molecular Weight: 130.189
• Hs Code.: 29029090
• European Community (EC) Number: 628-735-8
• UNII: L77VC39CZT
• DSSTox Substance ID: DTXSID40167863
• Nikkaji Number: J82.514J
• Wikidata: Q83037355
• Mol file: 16520-62-0.mol

Synonyms:4-phenyl-1-butyne

Chemical Property of 4-Phenyl-1-butyne

Chemical Property:

• Vapor Pressure: 0.76mmHg at 25°C
• Refractive Index: n20/D 1.5120(lit.)
• Boiling Point: 190.2 °C at 760 mmHg
• Flash Point: 57 °C
• PSA: 0.00000
• Density: 0.936 g/cm³
• LogP: 2.25240
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 130.078250319
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

4-Phenyl-1-butyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCC1=CC=CC=C1
• Uses: 4-Phenyl-1-butyne is used as an intermediate in chemical research.

Technology Process of 4-Phenyl-1-butyne

There total 61 articles about 4-Phenyl-1-butyne 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: 98.0%

α-(trichloromethyl)benzenepropanol 4-methylbenzenesulfonate (263904-20-7) → 4-Phenyl-1-butyne (16520-62-0)

Guidance literature:

With methyllithium; In tetrahydrofuran; diethyl ether; at -10 - 0 ℃; for 1h;

DOI:10.1021/jo9916582

Reference yield: 97.0%

α-(dichloromethyl)benzenepropanol 4-methylbenzenesulfonate → 4-Phenyl-1-butyne (16520-62-0)

Guidance literature:

With methyllithium; In tetrahydrofuran; at -30 - 0 ℃; for 1h;

DOI:10.1021/jo990623z

Reference yield: 96.0%

4-phenyl-1,1-dibromo-1-butene (119405-97-9) → 4-Phenyl-1-butyne (16520-62-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

DOI:10.1016/j.chempr.2018.04.008

upstream raw materials:

1-Methylthio-4-phenyl-butanon-p-tosylhydrazon

<α,α-Dichlor-methyl>-<3-phenyl-propyl>-sulfon

propargyl magnesium bromide

benzyl bromide

Downstream raw materials:

1-Phenyl-3-methylprop-2-yne

6-phenylhex-3-yn-1-ol

(2,4-Bis-trimethylsilanyl-but-3-ynyl)-benzene

1-(trimethylsilyl)-4-phenyl-1-butyne

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