3-Ethynylfuran

Base Information

• Chemical Name: 3-Ethynylfuran
• CAS No.: 51061-85-9
• Molecular Formula: C6H4O
• Molecular Weight: 92.09536
• Hs Code.: 2932190090
• European Community (EC) Number: 836-135-4
• DSSTox Substance ID: DTXSID50455268
• Nikkaji Number: J830.087I
• Mol file: 51061-85-9.mol

Synonyms:3-ethynylfuran;51061-85-9;3-ETHYNYL-FURAN;DTXSID50455268;AKOS010651489;CS-0261502;FT-0719904;EN300-787600;A828421

Chemical Property of 3-Ethynylfuran

Chemical Property:

• Vapor Pressure: 35.603mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 104.591°C at 760 mmHg
• Flash Point: 10.846°C
• PSA: 13.14000
• Density: 1.03g/cm³
• LogP: 1.26090
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.026214747
• Heavy Atom Count: 7
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

3-ETHYNYLFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=COC=C1

Technology Process of 3-Ethynylfuran

There total 3 articles about 3-Ethynylfuran 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: 93.0%

furan-3-carboxaldehyde (498-60-2) + C8H21N4PSi (145397-30-4) → C12H25N2O3PSi + 3-ethynylfuran (51061-85-9)

Guidance literature:

In pentane; at 20 ℃;

DOI:10.1021/jo060663k

Reference yield: 48.0%

furan-3-carboxaldehyde (498-60-2) + diazomethyl-trimethyl-silane (18107-18-1) → 3-ethynylfuran (51061-85-9)

Guidance literature:

diazomethyl-trimethyl-silane; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

furan-3-carboxaldehyde; In tetrahydrofuran; at -78 - 20 ℃; for 1.5h; Further stages.;

DOI:10.1039/b002903n

Reference yield:

3-Trimethylsilanyl-4-trimethylsilanylethynyl-furan (86842-14-0) → 3-ethynylfuran (51061-85-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)81958-9

upstream raw materials:

3-Trimethylsilanyl-4-trimethylsilanylethynyl-furan

furan-3-carboxaldehyde

diazomethyl-trimethyl-silane

C₈H₂₁N₄PSi

Downstream raw materials:

(4S,4aR,8S,8aS)-8-Benzyloxymethyl-4-furan-3-ylethynyl-4-hydroxy-3,4a-dimethyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one

5Z-5-[E-5-(3-furanyl)-2-methyl-2-penten-4-yn-1-ylidene]-3-methyl-2(5H)-furanone