METHYL 2,6-DIFLUOROBENZOATE

Base Information

• Chemical Name: METHYL 2,6-DIFLUOROBENZOATE
• CAS No.: 13671-00-6
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.131
• Hs Code.: 29163990
• Mol file: 13671-00-6.mol

Synonyms:2,6-Difluorobenzoic acid methyl ester;

Chemical Property of METHYL 2,6-DIFLUOROBENZOATE

Chemical Property:

• Appearance/Colour: colourless or light brown liquid
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 209.203 °C at 760 mmHg
• Flash Point: 78.321 °C
• PSA: 26.30000
• Density: 1.268 g/cm³
• LogP: 1.75140
• Storage Temp.: Room temperature.

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2,6-difluorobenzoate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 2,6-difluorobenzoate may be used in the synthesis of 9-hydroxy-13-(2,6-difluorophenyl)-3H-dibenzo[b,i]xanthen-3-one and 2,6-difluorobenzohydroxamic acid.

Technology Process of METHYL 2,6-DIFLUOROBENZOATE

There total 16 articles about METHYL 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: 93.0%

methanol (67-56-1) + C17H21F2NO5 → methyl 2,6-difluorobenzoate (13671-00-6)

Guidance literature:

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

DOI:10.1007/s10562-019-02966-6

Reference yield: 93.0%

methyl 3,5-dichloro-2,4,6-trifluorobenzoate (13648-23-2) → methyl 2,6-difluorobenzoate (13671-00-6)

Guidance literature:

With tris[2-phenylpyridinato-C₂,N]iridium(III); N-ethyl-N,N-diisopropylamine; In acetonitrile; at 65 ℃; for 55h; Sealed tube; Inert atmosphere; Photolysis;

Reference yield: 86.0%

methanol (67-56-1) + 2,6-difluorobenzoic acid (385-00-2) → methyl 2,6-difluorobenzoate (13671-00-6)

Guidance literature:

With sulfuric acid; for 40h; Heating;

DOI:10.1021/acs.oprd.5b00389

upstream raw materials:

methanol

2,6-difluorobenzoylchloride

1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea

sodium methylate

Downstream raw materials:

Raf inhibitor a

2,6-difluoro-N-(3-hydroxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamido)benzamide

methyl 3-amino-2,6-difluorobenzoate

methyl 2,6-difluoro-3-(N-(propylsulfonyl)propylsulfonamido)benzoate

Refernces

• 1、 Li, Jun-Fei,Wang, Yao-Fang,Wu, Yuan-Yuan,Liu, Wen-Jing,Wang, Jun-Wen. "Nickel-Catalyzed Esterification of Amides Under Mild Conditions". . p. 874 - 880. Retrieved 2019/11/13.
• 2、 Knaus, Tanja,Tseliou, Vasilis,Humphreys, Luke D.,Scrutton, Nigel S.,Mutti, Francesco G.. "A biocatalytic method for the chemoselective aerobic oxidation of aldehydes to carboxylic acids". supporting information. p. 3931 - 3943. Retrieved 2018/09/11.