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| | METHYL 2,6-DIFLUOROBENZOATE Basic information |
| Product Name: | METHYL 2,6-DIFLUOROBENZOATE | | Synonyms: | 2,6-DIFLUOROBENZOIC ACID METHYL ESTER;RARECHEM AL BF 0212;Methyl 2,6-difluorobenzoate 98%;Methyl2,6-difluorobenzoate98%;Benzoic acid, 2,6-difluoro-, Methyl ester;Methyl 2,6-difluorobenzoate, 97%+;2-(Methoxycarbonyl)-1,3-difluorobenzene;2,5-difluoro-3-methylbenzoate | | CAS: | 13671-00-6 | | MF: | C8H6F2O2 | | MW: | 172.13 | | EINECS: | 642-850-0 | | Product Categories: | Aromatic Esters;C8 to C9;Carbonyl Compounds;Esters | | Mol File: | 13671-00-6.mol |  |
| | METHYL 2,6-DIFLUOROBENZOATE Chemical Properties |
| Boiling point | 203-204 °C (lit.) | | density | 1.281 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.476(lit.) | | Fp | 203 °F | | storage temp. | Sealed in dry,Room Temperature | | form | fused solid | | color | White to off white | | BRN | 1948618 | | InChI | 1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3 | | InChIKey | QNPFLTKQLFSKBY-UHFFFAOYSA-N | | SMILES | COC(=O)c1c(F)cccc1F | | CAS DataBase Reference | 13671-00-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/38 | | Safety Statements | 26-36-26/37 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 10 - Combustible liquids |
| | METHYL 2,6-DIFLUOROBENZOATE Usage And Synthesis |
| 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. | | Synthesis | GENERAL METHOD: A catalytic amount of concentrated H2SO4 (0.1 mmol) was added to a methanol (50 mL) solution of 2,6-difluorobenzoic acid (1.0 mmol) and the mixture was heated to reflux for 6 hours. Upon completion of the reaction, the reaction mixture was cooled to room temperature. Subsequently, saturated NaHCO3 solution (50 mL) was added to the reaction mixture to neutralize the acidic conditions, and then the product was extracted with ethyl acetate (2 x 50 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give pure methyl 2,6-difluorobenzoate. | | References | [1] Organic Process Research and Development, 2016, vol. 20, # 2, p. 233 - 241
[2] Medicinal Chemistry Research, 2016, vol. 25, # 4, p. 627 - 643
[3] Patent: WO2011/59610, 2011, A1. Location in patent: Page/Page column 101-102
[4] Patent: WO2013/71865, 2013, A1. Location in patent: Page/Page column 25
[5] Patent: CN103102349, 2017, B. Location in patent: Paragraph 0147-0149 |
| | METHYL 2,6-DIFLUOROBENZOATE Preparation Products And Raw materials |
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