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Chemical Structure| 1711-07-5 Chemical Structure| 1711-07-5

Structure of 3-Fluorobenzoylchloride
CAS No.: 1711-07-5

Chemical Structure| 1711-07-5

3-Fluorobenzoylchloride

CAS No.: 1711-07-5

4.5 *For Research Use Only !

Cat. No.: A215170 Purity: 98%

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Product Details of [ 1711-07-5 ]

CAS No. :1711-07-5
Formula : C7H4ClFO
M.W : 158.56
SMILES Code : O=C(Cl)C1=CC=CC(F)=C1
MDL No. :MFCD00000670
InChI Key :SYVNVEGIRVXRQH-UHFFFAOYSA-N
Pubchem ID :74376

Safety of [ 1711-07-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 1711-07-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1711-07-5 ]
  • Downstream synthetic route of [ 1711-07-5 ]

[ 1711-07-5 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 6638-79-5 ]
  • [ 1711-07-5 ]
  • [ 226260-01-1 ]
YieldReaction ConditionsOperation in experiment
86.5% With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere To a solution of Ν,Ο-dimethylhydroxylamine hydrochloride (138 g, 1.42 mol) in DCM (1.5 L) was added Et3N (383 g, 3.78 mol) at room temperature (RT). To the stirred mixture, 1-1 (150 g, 946 mmol) was added dropwise at 0 °C under N2 atmosphere. The solution was stirred at the same temperature for 1 h, and then slowly warmed to RT for 10 h. The mixture was added to water (~1L) and extracted with EtOAc (2 x 500 mL). The combined organic phases were dried with Na2S04, filtered and concentrated. The residue was purified by flash column chromatography (eluent: PE) to give 1-2 as a white solid (150 g, yield: 86.5percent). 1H NMR (400 MHz, CDC13): δ 7.49-7.43 (1 H, m), 7.41-7.32 (2 H, m), 7.18- 7.10 (1 H, m), 3.54 (3 H, s), 3.34 (3 H, s).
References: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 4, p. 1415 - 1419.
[2] Patent: WO2016/145103, 2016, A1, . Location in patent: Paragraph 0165.
[3] Patent: US6174874, 2001, B1, .
[4] Patent: US2008/249095, 2008, A1, . Location in patent: Page/Page column 44.
  • 2
  • [ 1711-07-5 ]
  • [ 226260-01-1 ]
YieldReaction ConditionsOperation in experiment
86.5% With triethylamine In dichloromethane at 0 - 20℃; for 11 h; Inert atmosphere 10264] To a solution of N,O-dimethylhydroxylamine hydrochloride (138 g, 1.42 mol) in DCM (1.5 L) was addedEt3N (383 g, 3.78 mol) at RT. To the stirred mixture, G-1 (150 g, 946 mmol) was added dropwise at 00 C. under N2 atmosphere. The solution was stirred at the same temperature for 1h, and then slowly warmed to RT for 10 h. The mixture wasadded to water (.—1 L) and extracted with EtOAc (2x500 mE).The combined organic phases were dried with Na2504, filtered and concentrated. The residue was purified by flashcolunm chromatography (eluent: PE) to give G-2 as a white solid (150 g, yield: 86.5percent). ‘H NMR (400 MHz, CDC13): ö 7.49-7.43 (1H, m), 7.41-7.32 (2H, m), 7.18-7.10 (1H, m),3.54 (3H, s), 3.34 (3H, s).
References: [1] Patent: US2015/72982, 2015, A1, . Location in patent: Paragraph 0263; 0264.
 

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