| Identification | More | [Name]
METHYL 2,6-DIFLUOROBENZOATE | [CAS]
13671-00-6 | [Synonyms]
2,6-DIFLUOROBENZOIC ACID METHYL ESTER
METHYL 2,6-DIFLUOROBENZOATE
RARECHEM AL BF 0212
Methyl 2,6-difluorobenzoate 98%
Methyl2,6-difluorobenzoate98% | [EINECS(EC#)]
642-850-0 | [Molecular Formula]
C8H6F2O2 | [MDL Number]
MFCD00051778 | [Molecular Weight]
172.13 | [MOL File]
13671-00-6.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [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 |
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