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Chemical Structure| 2557-77-9 Chemical Structure| 2557-77-9

Structure of 3-Fluorobenzenethiol
CAS No.: 2557-77-9

Chemical Structure| 2557-77-9

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Product Details of [ 2557-77-9 ]

CAS No. :2557-77-9
Formula : C6H5FS
M.W : 128.17
SMILES Code : SC1=CC=CC(F)=C1
MDL No. :MFCD00040227

Safety of [ 2557-77-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 2557-77-9 ]

* 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.

  • Downstream synthetic route of [ 2557-77-9 ]

[ 2557-77-9 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 53595-65-6 ]
  • [ 2557-77-9 ]
  • [ 63032-19-9 ]
  • 2
  • [ 2557-77-9 ]
  • [ 13421-00-6 ]
  • [ 54435-12-0 ]
  • 3
  • [ 2557-77-9 ]
  • [ 13421-00-6 ]
  • [ 54435-71-1 ]
YieldReaction ConditionsOperation in experiment
The starting material 2,10-dichloro-7-fluoro-10,11-dihydro-dibenzo[b,f]thiepin can be prepared from <strong>[13421-00-6]2-iodo-5-chloro<strong>[13421-00-6]benzoic acid</strong></strong> and 3-fluoro-(thiophenol) in a similar manner to that described in example 1.
  • 4
  • [ 703-67-3 ]
  • [ 2557-77-9 ]
  • [ 1231765-07-3 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In 1-methyl-pyrrolidin-2-one; at 90℃; for 20h; Step 4 6-(3-Fluoro-phenylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one A solution of <strong>[703-67-3]6-fluoro-3,4-dihydro-2H-naphthalen-1-one</strong> (3.64 kg) and 3-fluorothiophenol (2.80 kg), in anhydrous NMP (7.7 kg) was treated with triethylamine (2.26 kg). After a mild exotherm had subsided, the mixture was heated for 20 hours at 90° C. The mixture was cooled to about 25° C. and diluted with water (30 L) and heptane (10 kg). The mixture was agitated for 12 hours and then filtered. The filter cake was washed with water and dried at 60° C. under vacuum to afford 6-(3-fluorophenylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one (5.52 kg): MP=66.2-66.7° C.; MS (M+1)=273; H1 NMR (300 MHz): delta ppm (CDCl3): 2.10 (2H, m, J=6.03, 6.40 Hz), 2.62 (2H, dd, J=6.03, 5.75 Hz) 2.87 (2H, t, J=6.03), 7.03 (1H,tdd, J=1.13, 2.64, 8.29 Hz), 7.08-7.16 (2H, m), 7.22 (1H, dt, J=1.13, 8.29 Hz), 7.31 (1H, q, 8.29 Hz), 7.35 (1H, dd, J=5.65, 7.91 Hz) 7.92(1H, d, J=7.91 Hz).
  • 5
  • [ 14651-42-4 ]
  • [ 2557-77-9 ]
  • C17H21FS [ No CAS ]
  • 6
  • [ 14651-42-4 ]
  • [ 2557-77-9 ]
  • [ 1373634-15-1 ]
  • 7
  • [ 2557-77-9 ]
  • [ 405224-22-8 ]
  • 5-((3-fluorophenyl)thio)-2-oxo-1,2-dihydropyridine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 110.0℃; for 36.0h;Sonication; Inert atmosphere; Sealed tube; In a sealed vessel was added <strong>[405224-22-8]5-bromo-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (800 mg, 4.00 mmol) and Xantphos (116 mg, 0.2 mmol), Pd2 (dba) 3 (92 mg, 0.1 mmol) and 1,4-dioxane (8.4 mL). The gas in the mixed solution was removed by using ultrasonic waves and nitrogen gas. Diisopropylethylamine (1.4 mL, 8.00 mmol) and 3-fluorothiophenol (0.34 mL, 4.00 mmol) were added, and the mixture was stirred at 110 C for 36 hours. The reaction solution was cooled to room temperature, filtered through a pad of diatomaceous earth and washed several times with ethyl acetate. The organic layer was extracted with water. The organic layer was separated and the aqueous layer was extracted with ethyl acetate. The combined organic layers were dried over anhydrous magnesium sulfate and concentrated. The residue was purified by chromatography (silica gel, dichloromethane: methanol = 97: 3) to obtain the desired compound (424 mg, 43% yield) as a yellow solid.
  • 8
  • [ 2557-77-9 ]
  • [ 546-43-0 ]
  • 3-(((3-fluorophenyl)thio)methyl)-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one [ No CAS ]
 

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