1-Ethynyl-3-phenoxybenzene

Base Information

• Chemical Name: 1-Ethynyl-3-phenoxybenzene
• CAS No.: 58775-83-0
• Molecular Formula: C14H10O
• Molecular Weight: 194.233
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60505920
• Wikidata: Q82361367
• Mol file: 58775-83-0.mol

Synonyms:1-ethynyl-3-phenoxybenzene;58775-83-0;1-ETHYNYL-3-PHENOXY-BENZENE;SCHEMBL5689227;DTXSID60505920;AKOS006240694;AB91830;A18946;F79144;EN300-1862044;A1-26319

Chemical Property of 1-Ethynyl-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 297.276°C at 760 mmHg
• Flash Point: 128.8°C
• PSA: 9.23000
• Density: 1.116g/cm³
• LogP: 3.46020
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 194.073164938
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

1-Ethynyl-3-phenoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC=C1)OC2=CC=CC=C2

Technology Process of 1-Ethynyl-3-phenoxybenzene

There total 7 articles about 1-Ethynyl-3-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: 90.0%

carbon tetrabromide (558-13-4) + 3-Phenoxybenzaldehyde (39515-51-0) → (3-Phenoxyphenyl)acetylene (58775-83-0)

Guidance literature:

carbon tetrabromide; 3-Phenoxybenzaldehyde; With triisopropyl phosphite; In acetonitrile; at 0 ℃; for 0.166667h;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In acetonitrile; at 0 - 20 ℃; for 4h;

DOI:10.1002/adsc.201801334

Reference yield: 81.0%

1-(2,2-dibromovinyl)-3-phenoxybenzene → (3-Phenoxyphenyl)acetylene (58775-83-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 - 30 ℃; for 16h;

DOI:10.1021/acs.orglett.5b02398

Reference yield: 65.3%

trimethyl((3-phenoxyphenyl)ethynyl)silane → (3-Phenoxyphenyl)acetylene (58775-83-0)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃; for 5.5h; Inert atmosphere;

upstream raw materials:

C₁₇H₁₆O₂

3-Phenoxybenzaldehyde

carbon tetrabromide

1,3-dibromobenzene

Downstream raw materials:

3-(1,1-difluoroethyl)diphenylether

3-ethenylphenyl phenyl ether

5-(3-phenoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole

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