1-Ethynyl-4-phenoxybenzene

Base Information

• Chemical Name: 1-Ethynyl-4-phenoxybenzene
• CAS No.: 4200-06-0
• Molecular Formula: C14H10O
• Molecular Weight: 194.233
• Hs Code.: 2909309090
• European Community (EC) Number: 626-025-2
• DSSTox Substance ID: DTXSID40509865
• Nikkaji Number: J652.817A
• Wikidata: Q72498074
• Mol file: 4200-06-0.mol

Synonyms:1-Ethynyl-4-phenoxybenzene;4200-06-0;4'-Phenoxyphenyl acetylene;1-ethynyl-4-phenoxy-benzene;SCHEMBL309042;DTXSID40509865;LKMNQDOAPYPSNH-UHFFFAOYSA-N;1-Ethynyl-4-phenoxybenzene, 97%;MFCD03839992;AKOS005208482;AB91834;AS-58867;CS-0072304;FT-0635179;EN300-236440;Q-102464;F2108-0336

Chemical Property of 1-Ethynyl-4-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Melting Point: 284℃ (decomposition)
• Refractive Index: n20/D 1.6060(lit.)
• Boiling Point: 285.087 °C at 760 mmHg
• Flash Point: 121.034 °C
• PSA: 9.23000
• Density: 1.11 g/cm³
• LogP: 3.46020
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 194.073164938
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

1-Ethynyl-4-phenoxybenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-43
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)OC2=CC=CC=C2
• Uses: 1-Ethynyl-4-phenoxybenzene can be used for Sonogashira coupling reactions. 1-Ethynyl-4-phenoxybenzene may be used in the preparation of 1-vinyl-4-phenoxybenzene.

Technology Process of 1-Ethynyl-4-phenoxybenzene

There total 10 articles about 1-Ethynyl-4-phenoxybenzene 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: 100.0%

trimethyl((4-phenoxyphenyl)ethynyl)silane (1245913-04-5) → 1-(4-ethynylphenoxy)benzene (4200-06-0)

Guidance literature:

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

Reference yield: 90.0%

1-(2-methyl-3-butyn-2-ol)-2-(4-phenyloxyphenyl)ethyne → 1-(4-ethynylphenoxy)benzene (4200-06-0)

Guidance literature:

With potassium hydroxide; In methanol; toluene; for 14h; Heating / reflux;

Reference yield: 63.0%

2-Methyl-4-(4-phenoxy-phenyl)-but-3-yn-2-ol (17541-02-5) → 1-(4-ethynylphenoxy)benzene (4200-06-0)

Guidance literature:

With sodium hydride; In toluene; at 110 ℃;

DOI:10.1021/jo00210a042

upstream raw materials:

2-Methyl-4-(4-phenoxy-phenyl)-but-3-yn-2-ol

4-phenoxyacetophenone

1-(2,2-Dibromo-vinyl)-4-phenoxy-benzene

4-phenoxy benzaldehyde

Downstream raw materials:

2-(4-phenoxy-phenylethynyl)-benzothiazole

2-(4-phenoxyphenyl)-3H-indol-3-one-N-oxide

[6-chloro-5-(4-phenoxy-phenylethynyl)-1H-benzoimidazol-2-ylsulfanyl]-acetic acid tert-butyl ester

C₂₉H₂₃NO₃S