Ethyl 2,6-difluorobenzoate

Base Information

• Chemical Name: Ethyl 2,6-difluorobenzoate
• CAS No.: 19064-14-3
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2916399090
• European Community (EC) Number: 943-621-0
• DSSTox Substance ID: DTXSID601014810
• Mol file: 19064-14-3.mol

Synonyms:Ethyl 2,6-difluorobenzoate;19064-14-3;Benzoic acid, 2,6-difluoro-, ethyl ester;MFCD06204338;2,6-Difluorobenzoic acid, ethyl ester;Ethyl2,6-difluorobenzoate;Ethyl 2,6-difluorobenzoate #;SCHEMBL1996045;DTXSID601014810;2,6-Difluorobenzoic acid ethyl ester;ethyl-2,6-difluorobenzene-carboxylate;AKOS008947914;SY043381;TS-02597;CS-0061555;FT-0762505;A880404;Ethyl 2, 6-difluorobenzoate;Ethyl 2,6-Difluorobenzoate

Chemical Property of Ethyl 2,6-difluorobenzoate

Chemical Property:

• Vapor Pressure: 0.075mmHg at 25°C
• Refractive Index: 1.472
• Boiling Point: 228 °C at 760 mmHg
• Flash Point: 89.2 °C
• PSA: 26.30000
• Density: 1.222 g/cm³
• LogP: 2.14150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl2,6-Difluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC=C1F)F

Technology Process of Ethyl 2,6-difluorobenzoate

There total 10 articles about Ethyl 2,6-difluorobenzoate 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: 96.0%

2,6-difluorobenzoylchloride (18063-02-0) → 2,6-Difluorobenzoic acid,ethyl ester (19064-14-3)

Guidance literature:

In ethanol;

Reference yield: 96.0%

ethanol (64-17-5) + 2,6-difluorobenzoylchloride (18063-02-0) → 2,6-Difluorobenzoic acid,ethyl ester (19064-14-3)

Guidance literature:

1.) 30 min, 2.) RT, 30 min;

DOI:10.1021/jm00068a010

Reference yield: 91.0%

ethanol (64-17-5) + C17H21F2NO5 → 2,6-Difluorobenzoic acid,ethyl ester (19064-14-3)

Guidance literature:

With C₂₆H₂₈N₃O₃S⁽¹⁺⁾*F₆P^(1-); nickel diacetate; potassium carbonate; triethylamine; at 25 ℃; for 2h;

DOI:10.1007/s10562-019-02966-6

upstream raw materials:

ethanol

2,6-difluorobenzoylchloride

1,3-Difluorobenzene

2,6-difluorobenzoic acid

Downstream raw materials:

ethyl 2-fluoro-6-[3,4-(methylenedioxy)phenoxy]benzoate

1-(2,6-difluorophenyl)-3-(dimethylamino)-2-(pyridin-4-yl)prop-2-en-1-one

4-[3-(2,6-difluorophenyl)-1H-pyrazol-4-yl]pyridine

4-[3-(2,6-difluorophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyridine

Refernces

• 1、 Hoque, Md Emdadul,Bisht, Ranjana,Haldar, Chabush,Chattopadhyay, Buddhadeb. "Noncovalent Interactions in Ir-Catalyzed C-H Activation: L-Shaped Ligand for Para-Selective Borylation of Aromatic Esters". supporting information. p. 7745 - 7748. Retrieved 2017/06/21.
• 2、 Park, Kyoung-Ho,Kevill, Dennis N.. "The importance of the ortho effect in the solvolyses of 2,6-difluorobenzoyl chloride". experimental part. p. 267 - 270. Retrieved 2012/06/30.