Ethyl 3,5-difluorobenzoylformate

Base Information

• Chemical Name: Ethyl 3,5-difluorobenzoylformate
• CAS No.: 208259-57-8
• Molecular Formula: C10H8 F2 O3
• Molecular Weight: 214.169
• Hs Code.: 2918300090
• European Community (EC) Number: 675-602-5
• DSSTox Substance ID: DTXSID70374508
• Nikkaji Number: J2.307.995J
• Wikidata: Q82163128
• Mol file: 208259-57-8.mol

Synonyms:Ethyl 3,5-difluorobenzoylformate;208259-57-8;ethyl 2-(3,5-difluorophenyl)-2-oxoacetate;3,5-Difluoro-oxo-benzeneacetic acid ethyl ester;MFCD01319620;Benzeneacetic acid, 3,5-difluoro-alpha-oxo-, ethyl ester;SCHEMBL2529911;DTXSID70374508;JPTHBXHXKOKMTE-UHFFFAOYSA-N;AKOS015915739;ETHYL3,5-DIFLUOROBENZOYLFORMATE;Ethyl 3,5-difluorobenzoylformate, 96%;CS-0120869;(3,5-difluorophenyl)oxoacetic acid ethyl ester;E78036;EN300-378179;A814951;J-013657;2-(3,5-difluorophenyl)-2-oxoacetic acid ethyl ester;2-Oxo-2-(3,5-difluorophenyl)acetic acid ethyl ester;ethyl 2-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanoate

Chemical Property of Ethyl 3,5-difluorobenzoylformate

Chemical Property:

• Vapor Pressure: 0.00481mmHg at 25°C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 247.4 °C(lit.)
• Flash Point: 66 °C
• PSA: 43.37000
• Density: 1.27 g/mL at 25 °C(lit.)
• LogP: 1.71060
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.04415044
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 3,5-difluorobenzoylformate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,5-difluorobenzoylformate

There total 1 articles about Ethyl 3,5-difluorobenzoylformate 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:

3,5-difluorobromobenzene (461-96-1) → ethyl 2-(3,5-difluorophenyl)-2-oxoacetate (208259-57-8)

Guidance literature:

Reference yield: 100.0%

ethyl 2-(3,5-difluorophenyl)-2-oxoacetate (208259-57-8) + C14H37NOSi3 (1233519-92-0) → C18H27F2NO3Si (1233519-93-1)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 85 ℃; for 24h;

Reference yield: 99.0%

ethyl 2-(3,5-difluorophenyl)-2-oxoacetate (208259-57-8) → ethyl 2-(3,5-difluorophenyl)-2-hydroxyacetate (1221966-49-9)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In ethanol; water; at 20 ℃;

DOI:10.1021/ol100522z

upstream raw materials:

3,5-difluorobromobenzene

Downstream raw materials:

(S)-2-(3,5-difluorophenyl)-2-hydroxy-propionic acid ethyl ester

ethyl 2-(3,5-difluorophenyl)-2-hydroxyacetate

C₁₈H₂₇F₂NO₃Si

(R)-ethyl 2-(3,5-difluorophenyl)-2-[(R)-1,1-dimethylethylsulfinamido]acetate