2-Furonitrile

Base Information

• Chemical Name: 2-Furonitrile
• CAS No.: 617-90-3
• Molecular Formula: C5H3NO
• Molecular Weight: 93.0849
• Hs Code.: 29299090
• European Community (EC) Number: 210-537-4
• NSC Number: 35567
• UNII: 2LRK86H722
• DSSTox Substance ID: DTXSID40210707
• Nikkaji Number: J95.460H
• Wikipedia: 2-Furonitrile
• Wikidata: Q4596885
• Mol file: 617-90-3.mol

Synonyms:2-Furonitrile;617-90-3;furan-2-carbonitrile;2-Cyanofuran;2-Furancarbonitrile;2-Furyl cyanide;MFCD00003223;.alpha.-Furyl cyanide;UNII-2LRK86H722;2LRK86H722;EINECS 210-537-4;NSC-35567;2-Furonitrile (furan-2-carbonitrile);2-cyanofurane;2-Furonitrile, 99%;DTXSID40210707;NSC35567;NSC 35567;STL301969;AKOS000304646;AB00309;AC-6164;CS-W016667;2-CYANOFURAN;2-FURANCARBONITRILE;AMY202100107;SY048410;C1648;FT-0612471;EN300-26792;A833422;AN-584/40232027;J-640052;J-800054;Q4596885;W-203307;F1967-1443;17-90-3

Chemical Property of 2-Furonitrile

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 3.98mmHg at 25°C
• Melting Point: 147-148 °C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 149.7 °C at 760 mmHg
• Flash Point: 35 °C
• PSA: 36.93000
• Density: 1.13 g/cm³
• LogP: 1.15128
• Storage Temp.: Flammables area
• Water Solubility.: Soluble in most common organic solvents. Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 93.021463719
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

2-Cyanofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-41
• Safety Statements: 26-36/37/39-36/37-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=COC(=C1)C#N
• Uses: 2-Furonitrile is used as a extractive distillation solvent and as a sweetening agent. It is also used as an intermediate in pharmaceutical and fine chemical synthesis. 2-Furonitrile was employed as substrate to investigate the substrate specificity of nitrilase from Rhodococcus rhodochrous Jl cell.

Technology Process of 2-Furonitrile

There total 59 articles about 2-Furonitrile 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: 99.0%

furfural (98-01-1) → 2-furancarbonitrile (617-90-3)

Guidance literature:

With 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine; In dichloromethane; at 20 ℃; for 60h;

DOI:10.1021/jo990210y

Reference yield: 98.0%

2-furaldehyde oxime (1121-47-7) → 2-furancarbonitrile (617-90-3)

Guidance literature:

With dmap; thionyl chloride; In dichloromethane; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1983-30387

Reference yield: 97.3%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → 2-furancarbonitrile (617-90-3) + furan-2-carboxylic acid amide (609-38-1)

Guidance literature:

With ammonia; oxygen; In tert-Amyl alcohol; water; at 100 ℃; for 14h; under 3750.38 Torr; Overall yield = > 99 percent; Autoclave; High pressure;

DOI:10.1021/acscatal.0c00485

upstream raw materials:

1,4-dioxane

furan

bromocyane

2-furaldehyde oxime

Downstream raw materials:

1-furan-2-yl-pentan-1-one

[2]furyl-(3-methoxy-phenyl)-ketone

2-methyl-1-(2-furyl)-1-propanone

1-(furan-2-yl)hexan-1-one