Ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
• CAS No.: 118460-56-3
• Molecular Formula: C9H8 F2 O4
• Molecular Weight: 218.157
• DSSTox Substance ID: DTXSID90557977
• Wikidata: Q82440066
• Mol file: 118460-56-3.mol

Synonyms:118460-56-3;ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate;2-Furanpropanoic acid, alpha,alpha-difluoro-beta-oxo-, ethyl ester (9CI);DTXSID90557977;AKOS011992801

Chemical Property of Ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate

Chemical Property:

• PSA: 56.51000
• LogP: 1.66070
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 218.03906506
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C1=CC=CO1)(F)F

Technology Process of Ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate

There total 2 articles about Ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate 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: 58.0%

ethyl 3-(2-furyl)-3-oxopropanoate (615-09-8) → ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate (118460-56-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; triethylamine tris(hydrogen fluoride); In acetonitrile; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201500370

Reference yield:

ethyl 3-(2-furyl)-3-oxopropanoate (615-09-8) → ethyl 2-fluoro-3-(furan-2-yl)-3-oxopropanoate (357286-30-7) + ethyl 2-acetoxy-3-(furan-2-yl)-3-oxopropanoate (1242025-34-8) + ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate (118460-56-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; triethylamine tris(hydrogen fluoride); In acetonitrile; at 75 ℃; for 16h; Overall yield = 48%; Overall yield = 97 mg; Inert atmosphere;

DOI:10.1002/ejoc.201500370

upstream raw materials:

ethyl 3-(2-furyl)-3-oxopropanoate

Refernces