13671-00-6

Basic information

• Product Name: METHYL 2,6-DIFLUOROBENZOATE
• Synonyms: 2,6-DIFLUOROBENZOIC ACID METHYL ESTER;METHYL 2,6-DIFLUOROBENZOATE;RARECHEM AL BF 0212;Methyl 2,6-difluorobenzoate 98%;Methyl2,6-difluorobenzoate98%;2-(Methoxycarbonyl)-1,3-difluorobenzene;Benzoic acid, 2,6-difluoro-, Methyl ester;Methyl 2,6-difluorobenzoate, 97%+
• CAS NO: 13671-00-6
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• EINECS: -0
• Product Categories: Aromatic Esters;C8 to C9;Carbonyl Compounds;Esters
• Mol File: 13671-00-6.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 203-204 °C(lit.)
• Flash Point: 203 °F
• Appearance: colourless or light brown liquid
• Density: 1.281 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.476(lit.)
• Storage Temp.: Room temperature.
• BRN: 1948618
• CAS DataBase Reference: METHYL 2,6-DIFLUOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2,6-DIFLUOROBENZOATE(13671-00-6)
• EPA Substance Registry System: METHYL 2,6-DIFLUOROBENZOATE(13671-00-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36-26/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 13671-00-6(Hazardous Substances Data)

Usage

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.

General Description

Methyl 2,6-difluorobenzoate is a fluorinated aromatic ester. It can be synthesized from 2,6-difluorobenzoic acid via esterification with methanol.

Upstream product

• 67-56-1 methanol 
• 18063-02-0 2,6-difluorobenzoylchloride 
• 85068-31-1 1-(2,6-difluorophenyl)propan-1-one 
• 13648-23-2 methyl 3,5-dichloro-2,4,6-trifluorobenzoate 
• 437-81-0 2,6-difluorobenzaldehyde 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 385-00-2 2,6-difluorobenzoic acid 
• 372-18-9 1,3-Difluorobenzene 
• 68-12-2 N,N-dimethyl-formamide 
• 28177-48-2 2,6-difluorophenol 
• 35367-38-5 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea 
• 124-41-4 sodium methylate 

Downstream Products

• 1186607-05-5 Raf inhibitor a 
• 1422540-39-3 2,6-difluoro-N-(3-hydroxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamido)benzamide 
• 84832-02-0 methyl 3-amino-2,6-difluorobenzoate 
• 1186193-95-2 methyl 2,6-difluoro-3-(N-(propylsulfonyl)propylsulfonamido)benzoate 
• 1186223-50-6 methyl 2,6-difluoro-3-(propylsulfonamido)benzoate 
• 1331782-39-8 (R)-3-(piperidin-4-ylmethoxy)-4-(tetrahydrofuran-3-yloxy)benzo[d]isoxazole 4-methylbenzenesulfonate 
• 125309-34-4 2,6-difluoro-N-hydroxybenzamide 
• 385-00-2 2,6-difluorobenzoic acid 
• 1160684-94-5 ethyl N-[(6-hydroxy-2-oxo-3-phenyl-1,2-dihydro-5-quinoxalinyl)carbonyl]glycinate 
• 1160684-38-7 Ethyl N-{[6-hydroxy-2-(2-hydroxyphenyl)-5-quinoxalinyl]carbonyl}glycinate 
• 202003-06-3 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carbonitrile 
• 1160684-79-6 Ethyl N-{[6-hydroxy-2-(3-hydroxyphenyl)-5-quinoxalinyl]carbonyl}glycinate 
• 1160684-63-8 Ethyl N-{[2-(4-fluorophenyl)-6-hydroxy-5-quinoxalinyl]carbonyl}glycinate 
• 19064-18-7 2,6-difluorobenzyl alcohol 

Relevant articles and documents

The importance of the ortho effect in the solvolyses of 2,6-difluorobenzoyl chloride

The ortho effect of the chloro substituents in 2,6-dichlorobenzoyl chloride sufficiently hindered attack on the acyl carbon such that an ionization mechanism was observed over the full range of solvents studied. We now compare this behavior with that of 2,6-difluorobenzoyl chloride. The smaller fluoro substituents allow the dominant pathway to be addition-elimination (association-dissociation) in all solvents except those rich in fluoroalcohol, where ionization is dominant. Ranges of operation for both mechanisms had previously been observed for the parent benzoyl chloride but with a wider ionization range than for the 2,6-difluoro derivative. This indicates that, relative to the parent, the electronic destabilizing influence of the fluorines on acyl cation formation outweighs the steric retardation to attack because of the presence of the two ortho-fluorine atoms. An extended (two-term) Grunwald-Winstein equation treatment of the solvolyses of 2,6-difluorobenzoyl chloride is reported. Copyright

Nickel-Catalyzed Esterification of Amides Under Mild Conditions

Abstract: The use of ligands to adjust the catalytic activity of the catalyst for esterification of amides is challenge in organic chemistry. In this paper, Nickel(II)-NHC-catalyzed the esterification reaction between N,N-di-Boc amide and alcohols at room temperature have been demonstrated. The imidazolium salt bearing a hydroxyl functionalized side arm showed high effective catalytic activity in the activation of the amide N–C bond in air atmosphere. Graphic Abstract: [Figure not available: see fulltext.].

Protein kinase inhibitor and its composition and use thereof

The invention relates to compounds as shown in the general formula (I), pharmaceutical compositions containing the compounds, a method for treating diseases and disease symptoms related to abnormal activity of protein kinase by using the compounds, and medicinal use of the compounds.