2-Furanacetonitrile

Base Information

• Chemical Name: 2-Furanacetonitrile
• CAS No.: 2745-25-7
• Molecular Formula: C6H5 N O
• Molecular Weight: 107.112
• Hs Code.: 2932190090
• European Community (EC) Number: 809-084-0
• DSSTox Substance ID: DTXSID50447926
• Nikkaji Number: J28.160C
• Wikidata: Q82266822
• Mol file: 2745-25-7.mol

Synonyms:2-Furanacetonitrile;2-(FURAN-2-YL)ACETONITRILE;2745-25-7;2-furylacetonitrile;furan-2-acetonitrile;furan-2-yl-acetonitrile;SCHEMBL837048;DTXSID50447926;XAQZDZHAWDJHJF-UHFFFAOYSA-N;AMY31197;MFCD00043892;AKOS009314907;2-(Furan-2-yl)acetonitrile, AldrichCPR;CS-0336077

Chemical Property of 2-Furanacetonitrile

Chemical Property:

• Refractive Index: 1.4693 (estimate)
• Boiling Point: 200.87°C (rough estimate)
• PSA: 36.93000
• Density: 1.0854
• LogP: 1.34568
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.037113783
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Furan-2-yl)acetonitrile Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)CC#N

Technology Process of 2-Furanacetonitrile

There total 3 articles about 2-Furanacetonitrile 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: 37.0%

2-furylzinc chloride (81745-86-0) + cyanomethyl bromide (590-17-0) → 2-(furan-2-yl)acetonitrile (2745-25-7) + 2,2'-bifuran (5905-00-0)

Guidance literature:

bis(acetylacetonate)nickel(II); cyclohexyldiphenylphosphine; In tetrahydrofuran; at 55 ℃; for 0.5h; Yields of byproduct given;

DOI:10.1055/s-1987-27834

Reference yield:

2-Chloromethylfuran (617-88-9) + sodium cyanide (143-33-9,25596-52-5) → 2-(furan-2-yl)acetonitrile (2745-25-7) + 5-methyl-furan-2-carbonitrile (13714-86-8)

Guidance literature:

With water;

DOI:10.1021/ja01345a057

Reference yield:

2-Chloromethylfuran (617-88-9) + potassium cyanide (151-50-8) → 2-(furan-2-yl)acetonitrile (2745-25-7) + 5-methyl-furan-2-carbonitrile (13714-86-8)

Guidance literature:

With water;

DOI:10.1021/ja01345a057

upstream raw materials:

2-Chloromethylfuran

sodium cyanide

potassium cyanide

2-furylzinc chloride

Downstream raw materials:

(5-chloroacetylfuran-2-yl)acetonitrile

2-(furan-2-yl)-N-phenylacetamide

ethyl 2-furanacetate

furan-2-yl-acetic acid

Refernces