Ethyl iodofluoroacetate

Base Information

• Chemical Name: Ethyl iodofluoroacetate
• CAS No.: 401-58-1
• Molecular Formula: C4H6FIO2
• Molecular Weight: 231.993
• Hs Code.: 2915900090
• European Community (EC) Number: 671-171-2
• DSSTox Substance ID: DTXSID10371910
• Nikkaji Number: J743.819B
• Mol file: 401-58-1.mol

Synonyms:Ethyl iodofluoroacetate;ethyl 2-fluoro-2-iodoacetate;401-58-1;Ethyl fluoroiodoacetate;Fluoroiodoacetic acid ethyl ester;Acetic acid, fluoroiodo-, ethyl ester;C4H6FIO2;Ethyl 2-fluoro-2-iodoethanoate;SCHEMBL21828655;DTXSID10371910;MFCD01320733;AKOS015853681;FS-4661;CS-0365100;FT-0676351;F70023;EN300-7596625

Chemical Property of Ethyl iodofluoroacetate

Chemical Property:

• Vapor Pressure: 1.11mmHg at 25°C
• Melting Point: 68-72℃
• Refractive Index: >1.4
• Boiling Point: 176.2 °C at 760 mmHg
• Flash Point: 60.3 °C
• PSA: 26.30000
• Density: 1.89 g/cm³
• LogP: 1.28010
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.93966
• Heavy Atom Count: 8
• Complexity: 86.1

Purity/Quality:

99% ^*data from raw suppliers

EthylIodofluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(F)I

Technology Process of Ethyl iodofluoroacetate

There total 6 articles about Ethyl iodofluoroacetate 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: 91.0%

ethyl chlorofluoroacetate (401-56-9,96290-79-8) → ethyl 2-fluoro-2-iodoacetate (401-58-1)

Guidance literature:

With sodium iodide; In acetone; for 5h; Heating;

DOI:10.1039/P19960001741

Reference yield:

ethyl bromofluoroacetate (401-55-8) → ethyl 2-fluoro-2-iodoacetate (401-58-1)

Guidance literature:

With sodium iodide; In acetone;

DOI:10.1016/S0040-4039(00)88741-9

Reference yield:

diazoacetic acid ethyl ester (623-73-4) → ethyl 2-fluoro-2-iodoacetate (401-58-1)

Guidance literature:

With pyridine; N-iodo-succinimide; hydrogen fluoride;

DOI:10.1021/jo01336a027

upstream raw materials:

diazoacetic acid ethyl ester

ethyl chlorofluoroacetate

ethyl bromofluoroacetate

Downstream raw materials:

Ethyl (2Z,4E)-2-fluoro-5-phenyl-2,4-pentadienoate

ethyl 2-fluoroacetate

Ethyl 2-fluorooctanoate

Ethyl 2-fluorodecanoate

Refernces

• 1、 -. "FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS". Paragraph 0255. . Retrieved 2020/05/15.
• 2、 Zhi, Chengxin,Chen, Qing-Yun. "Novel and practical preparation of α-fluoro-functionalized esters from fluoroiodoacetates". . p. 1741 - 1747. Retrieved 2007/10/03.