(5-Cyanofuran-2-yl)methyl acetate

Base Information

• Chemical Name: (5-Cyanofuran-2-yl)methyl acetate
• CAS No.: 89149-68-8
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.148
• DSSTox Substance ID: DTXSID00519086
• Wikidata: Q82382031
• Mol file: 89149-68-8.mol

Synonyms:(5-cyanofuran-2-yl)methyl acetate;89149-68-8;(5-cyano-2-furyl)methyl acetate;DTXSID00519086;(5-cyanofuran-2-yl)methylacetate;AKOS015906782;EN300-137654;Z1255448116;InChI=1/C8H7NO3/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-3H,5H2,1H

Chemical Property of (5-Cyanofuran-2-yl)methyl acetate

Chemical Property:

• PSA: 63.23000
• LogP: 1.21438
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 218

Purity/Quality:

(5-cyanofuran-2-yl)methylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(O1)C#N

Technology Process of (5-Cyanofuran-2-yl)methyl acetate

There total 2 articles about (5-Cyanofuran-2-yl)methyl acetate 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:

furfurylacetate (623-17-6) + isocyanate de chlorosulfonyle (1189-71-5) → 2-cyano-5-furfuryl acetate (89149-68-8)

Guidance literature:

With N,N-dimethyl-formamide; Yield given. Multistep reaction; 1.) ethanonitrile, cooling, 1 h, 2.) ethanonitrile, rt, 1 h;

DOI:10.1016/S0040-4020(01)90890-7

Reference yield:

acetic anhydride (108-24-7) + (E)-5-(hydroxymethyl)furan-2-carbaldehyde oxime (5985-31-9,37110-03-5) → 2-cyano-5-furfuryl acetate (89149-68-8)

Guidance literature:

With sodium acetate;

DOI:10.1039/jr9470000396

Reference yield: 85.0%

methanol (67-56-1) + 2-cyano-5-furfuryl acetate (89149-68-8) → methyl 5-hydroxymethyl-2-furylimidate (89149-71-3)

Guidance literature:

With ammonium hydroxide; In water; Ambient temperature;

DOI:10.1016/S0040-4020(01)90890-7

upstream raw materials:

acetic anhydride

(E)-5-(hydroxymethyl)furan-2-carbaldehyde oxime

furfurylacetate

isocyanate de chlorosulfonyle

Downstream raw materials:

methyl 5-hydroxymethyl-2-furylimidate

5-hydroxymethyl-furan-2-carbonitrile

5-(hydroxymethyl)furan-2-carboxamide

5-cyano-2-furancarboxaldehyde