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[ CAS No. 51748-27-7 ]

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2D
Chemical Structure| 51748-27-7
Chemical Structure| 51748-27-7
Structure of 51748-27-7 *Storage: {[proInfo.prStorage]}

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Product Details of [ 51748-27-7 ]

CAS No. :51748-27-7MDL No. :MFCD00236335
Formula : C8H5F3OS Boiling Point : 172.9°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :206.19Pubchem ID :2777843
Synonyms :

Computed Properties of [ 51748-27-7 ]

TPSA : 42.4 H-Bond Acceptor Count : 5
XLogP3 : 3.1 H-Bond Donor Count : 0
SP3 : 0.13 Rotatable Bond Count : 2

Safety of [ 51748-27-7 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H227-H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 51748-27-7 ]

  • Downstream synthetic route of [ 51748-27-7 ]

[ 51748-27-7 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 24313-88-0 ]
  • [ 51748-27-7 ]
  • N-(3,4,5-trimethoxyphenyl)[[3-(trifluoromethylthio)phenyl]methyl]amine [ No CAS ]
  • 2
  • [ 3586-12-7 ]
  • [ 51748-27-7 ]
  • (3-phenoxy-phenyl)-(3-trifluoromethylsulfanyl-benzyl)-amine [ No CAS ]
  • 3
  • [ 51748-27-7 ]
  • (R)-1,1,1-Trifluoro-3-[(3-trifluoromethylsulfanyl-benzyl)-(3,4,5-trimethoxy-phenyl)-amino]-propan-2-ol [ No CAS ]
  • 4
  • [ 51748-27-7 ]
  • 1,1,1-trifluoro-3-[(3-phenoxy-phenyl)-(3-trifluoromethylsulfanyl-benzyl)-amino]-propan-2-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% EXAMPLE 4 3-Trifluoromethylthio-benzaldehyde. A solution of 56.9 g. (237 mmols) of 3-trifluoromethyl-thiobenzoic acid chloride in 285 ml. of anhydrous toluene and 5.7 g. of 5 per cent strength palladium on barium sulphate is introduced into a one litre three-necked flask equipped with a condenser, a mechanical stirrer and a gas bubbler tube. This mixture is heated, with stirring, for 12 hours at the reflux temperature, while a gentle stream of hydrogen is bubbled through it. The catalyst is filtered off and washed with diethyl ether. 125 ml. of a solution of sodium bisulphite (d = 1.33) are added to the filtrate. This mixture is stirred vigorously for 24 hours and the bisulphite compound is filtered off, washed with diethyl ether and introduced into a three-necked flask. A solution of 80 g. of potassium carbonate in 500 ml. of water is added and the mixture is boiled, so as to steam distil the aldehyde as it is formed. The distillate is extracted twice in succession with diethyl ether. The combined ether phases are dried over sodium sulphate and filtered. The solvent is evaporated in vacuo on a water bath and the residue is rectified. 33.3 g. (67% yield) of 3-trifluoromethylthio-benzaldehyde, as an oil, b.p. 108-111C./30-38 mm.Hg., are thus obtained. Analysis C8 H5 F3 OS (M.W. = 206)Calculated %: C 46.60
  • 6
  • [ 141-82-2 ]
  • [ 51748-27-7 ]
  • 3-amino-3-{3-[(trifluoromethyl)sulfanyl]phenyl}propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.3 g With ammonium formate; In ethanol; for 12.0h;Reflux; A mixture of malonic acid (1 g, 10 mmol), ammonium formate (1.2 g, 19 mmol) and <strong>[51748-27-7]3-((trifluoromethyl)thio)benzaldehyde</strong> (2 g, 10 mmol) in ethanol (10 mL) was refluxed for 12 h. The reaction mixture was evaporated to remove ethanol and the residue was triturated with acetone (2 x 50 mL). The solid was filtered and dried to afford 3-amino-3- {3-[(trifluoromethyl)sulfanyl]phenyl}propanoic acid (1.3 g) as a white solid. NMR (400 MHz, DMSO-de) delta 7.74 (s, 1H), 7.61 (dd, 2H, J = 7.6, 13.6 Hz), 7.50 (t, 1H, J = 7.6 Hz), 4.30 (bs, 1H), 2.36 (t, 2H, J = 1.6 Hz); MS: m/z 266.04 (M+l)
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