Ethyl Dibromofluoroacetate

Base Information

• Chemical Name: Ethyl Dibromofluoroacetate
• CAS No.: 565-53-7
• Molecular Formula: C4H5 Br2 F O2
• Molecular Weight: 263.889
• Hs Code.: 2915900090
• European Community (EC) Number: 641-330-0
• DSSTox Substance ID: DTXSID40371887
• Nikkaji Number: J364.587H
• Wikidata: Q72474176
• Mol file: 565-53-7.mol

Synonyms:Ethyl Dibromofluoroacetate;565-53-7;ethyl 2,2-dibromo-2-fluoroacetate;Dibromofluoroacetic Acid Ethyl Ester;Acetic acid, dibromofluoro-, ethyl ester;C4H5Br2FO2;2,2-Dibromo-1-ethoxy-2-fluoroethan-1-one;SCHEMBL1086891;DTXSID40371887;COYRDMUQLSIAEX-UHFFFAOYSA-N;ethyl 2,2-dibromo-2-fluoracetate;MFCD00042068;AKOS015833843;AT21588;FS-4406;D2530;FT-0626178;EN300-7618523;N-(5-Chloropyridin-3-yl)-2,2-dimethylpropionamide

Chemical Property of Ethyl Dibromofluoroacetate

Chemical Property:

• Melting Point: 157-161 ºC
• Refractive Index: 1.4633
• Boiling Point: 82 ºC (p=33 torr)
• Flash Point: 57.9 ºC
• PSA: 26.30000
• Density: 1.894
• LogP: 1.96260
• Water Solubility.: Miscible with most organic solvents. Immiscible with water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.86198
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Dibromofluoroacetate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TC
• Hazard Codes: T,C
• Statements: 21/22-34
• Safety Statements: 26-36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(F)(Br)Br
• Uses: Ethyl dibromofluoroacetate is a reagent used in the preparation of fluorinated molecules in organic synthesis. It is involved in the Reformatsky-type reaction to prepare syn-alfa-bromo-alfa-fluoro-beta-lactams by using diethylzinc. It is also used to prepare 2-fluoroaziridine-2-carboxylates by reaction with imines.

Technology Process of Ethyl Dibromofluoroacetate

There total 4 articles about Ethyl Dibromofluoroacetate 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:

1,1-dibromo-2,2-difluoroethylene (430-85-3) + ethanol (64-17-5) → ethyl dibromofluoroacetate (565-53-7) + Ethyl bromodifluoroacetate (667-27-6)

Guidance literature:

1,1-dibromo-2,2-difluoroethylene; With oxygen; at -15 - -10 ℃;

ethanol; In water; for 1h;

Reference yield:

ethyl tribromoacetate (599-99-5) → ethyl dibromofluoroacetate (565-53-7)

Guidance literature:

With silver fluoride; at 190 - 200 ℃;

Reference yield:

1,1-dibromo-2,2-difluoroethylene (430-85-3) + ethanol (64-17-5) → ethyl dibromofluoroacetate (565-53-7)

Guidance literature:

Multistep reaction; (i) O₂, (ii) /BRN= 1718733/;

upstream raw materials:

ethyl tribromoacetate

1,1-dibromo-2,2-difluoroethylene

ethanol

Downstream raw materials:

dibromofluoroacetic acid

(Z)-3-(4-methoxyphenyl)-2-fluoroacrylic acid ethyl ester

2-Bromo-2-fluoro-3-hydroxy-3-(4-methoxy-phenyl)-propionic acid ethyl ester

α-Fluor-α-cinnamylidenessigsaeure-ethylester

Refernces