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[ CAS No. 768-31-0 ]

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Cat. No.: {[proInfo.prAm]}
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2D
Chemical Structure| 768-31-0
Chemical Structure| 768-31-0
Structure of 768-31-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 768-31-0 ]

CAS No. :768-31-0MDL No. :MFCD02183561
Formula : C6H10F3N Boiling Point : 128-130°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :153.15Pubchem ID :-
Synonyms :

Computed Properties of [ 768-31-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 768-31-0 ]

Signal Word:DangerClass:3
Precautionary Statements:P261-P305+P351+P338UN#:1993
Hazard Statements:H225-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 768-31-0 ]

  • Downstream synthetic route of [ 768-31-0 ]

[ 768-31-0 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 33252-28-7 ]
  • [ 768-31-0 ]
  • 3-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% With triethylamine In tetrahydrofuran at 70℃; for 16h; 2 EXAMPLE 2 [00156] A solution of 2-CHLORO-5-NITROPYRIDINE (2. 1G, 15.3 MMOL), DL-3- trifluormethyl-piperidine (3.29 g, 21.4 MMOL), triethyl amine (6.6 mL, 46 MMOL), and THF (50 mL) was heated at 70 C for 16 h. The volatiles were then removed in-vacuo a nd t he r esidue p artitioned b etween E tOAc (100 mL) and H20 (100 mL). The organic layer was separated, washed with saturated aqueous NH4CI (50 mL) and saturated aqueous NaCI (75 mL), dried (Mg S04), and CONCENTRATED IN-VACUO to give a viscous oil. Chromatography of this material on silica gel using a Hexanes/EtOAc gradient (0% EtOAc to 50% EtOAc) gave 3- trifluoromethyl-3, 4,5, 6-TETRAHYDRO-2H- [1, 2'] bipyridinyl-5'-carbonitrile as a colorless solid (3.0 g, 11.7 mmol, 77% yield, m/z + = 256.1).
  • 2
  • [ 768-31-0 ]
  • [ 68162-47-0 ]
  • [ 1200131-34-5 ]
YieldReaction ConditionsOperation in experiment
100% With potassium carbonate; In acetonitrile; at 20℃; for 18h; A mixture of 4-(bromomethyl)benzene boronic acid (473 mg, 2.20 mmol), 3- trifluoromethylpiperidine (403 mg, 2.63 mmol) and potassium carbonate (910 mg, 6.60 mmol) in acetonitrile (30 mL) were stirred at ambient temperature for 18 h. The reaction mixture was <n="157"/>evaporated in vacuo and the resultant residue suspended in MeOH and the solid removed by filtration. The filtrate was evaporated to afford the title compound as a yellow solid (quantitative yield), which was used without further purification. 1H NMR (MeOD, 300MHz): 7.49 (d, J = 7.6Hz, 2H); 7.11 (d, J = 7.7Hz, 2H); 3.56-3.43 (m, 2H); 3.10-3.01 (m, 1H); 2.98-2.88 (m, 1H); 2.46-2.24 (m, 1H); 2.00-1.85 (m, 3H); 1.81-1.70 (m, 1H); 1.67-1.43 (m, 1H); 1.34-1.14 (m, 1H). LCMS (Method G): RT = 1.85 min, M+H+ = 288.
  • 3
  • [ 768-31-0 ]
  • [ 1227934-69-1 ]
  • [ 1227934-71-5 ]
  • [ 1227934-91-9 ]
YieldReaction ConditionsOperation in experiment
2-(3-(trifluoromethyl)piperidin-1-yl)-4-trifluoromethyloxazole-5-carboxylic Acid (A-24) Intermediate A-24 was prepared by the general procedure for intermediate A-4, by using A-2 and 3-(trifluoromethyl)piperidine as starting materials. MS (M+1): 333.
  • 4
  • [ 768-31-0 ]
  • [ 6668-56-0 ]
  • [ 1095857-78-5 ]
YieldReaction ConditionsOperation in experiment
76% In 1,4-dioxane at 100℃; for 20h; Microwave irradiation; 61.a EXAMPLE 61/V-methyl-3-(1 H-purin-6-ylamino)-4-[3-(trifluoromethyl)-1 -piperidinya) A/-methyl-3-nitro-4-[3-(trifluoromethyl)-1-piperidinyl]benzenesulfonamideTo a solution of 4-fluoro-3-nitrobenzenesulfonyl chloride (320 mg, 1.37 mmol) in 1 ,4-dioxane (5 mL) was added 3-(trifluoromethyl)piperidine (251 mg, 1 .64 mmol). The mixture was heated at 100 °C for 20 h. The mixture was concentrated and purified by flash column chromatography (0-70% EtOAc/hexanes) to afford the title compound (381 mg, 76%) as a brown oil. LCMS (ES) m/z 368 (M+H)+; 1H NMR (400 MHz, DMSO-d6) δ ppm 1.49 (br. s, 1 H) 1 .65 (br. s, 1 H) 1.80 (br. s, 1 H) 1.98-2.02 (m, 2H), 2.43 (s, 3H) 2.71 br. s, 1 H) 2.92 - 3.05 (m, 2H) 3.32 (m, 1 H) 7.48 (s, 1 H) 7.56 (br. s, 1 H) 7.82 - 7.90 (m, 1 H) 8.16 (s, 1 H
  • 5
  • [ 100367-77-9 ]
  • [ 768-31-0 ]
  • [ 1526230-43-2 ]
YieldReaction ConditionsOperation in experiment
48% With potassium carbonate; In N,N-dimethyl acetamide; at 160℃; for 6h; A solution of <strong>[100367-77-9]ethyl 2-bromothiazole-4-carboxylate</strong> (1 g, 4.24 mmol), 3-(trifluoro- methyl)piperidine (0.778 g, 5.08 mmol) and 2C03 (1.463 g, 10.59 mmol) in dimethylacetamide (36 mL) was heated at 160 C for 6 h, then the solvent was evaporated and the residue was dissolved in EtOAc and washed with water and brine. The organic layer was dried over MgSO4, filtered and concentrated to give a crude product, which was purified by flash column chromatography (silica; heptane/EtOAc 100/0 to 50/50) to give intermediate 67 (0.622 g, 48%).
48% With potassium carbonate; In N,N-dimethyl acetamide; at 160℃; for 6h; A solution of <strong>[100367-77-9]ethyl 2-bromothiazole-4-carboxylate</strong> (1 g, 4.24 mmol), 3-(trifluoro-methyl)piperidine (0.778 g, 5.08 mmol) and K2CO3 (1.463 g, 10.59 mmol) in dimethylacetamide (36 mL) was heated at 160 C. for 6 h, then the solvent was evaporated and the residue was dissolved in EtOAc and washed with water and brine. The organic layer was dried over MgSO4, filtered and concentrated to give a crude product, which was purified by flash column chromatography (silica; heptane/EtOAc 100/0 to 50/50) to give intermediate 67 (0.622 g, 48%).
  • 6
  • [ 768-31-0 ]
  • [ 1240567-67-2 ]
  • [ 1314874-92-4 ]
  • 7
  • [ 768-31-0 ]
  • [ 161957-56-8 ]
  • (3-bromo-2-fluoro-phenyl)-(3-trifluoromethyl-piperidin-1-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; for 4h; 18a) (3-Bromo-2-fluoro-phenyl)-(3-trifluoromethyl-piperidin-1 -yl)-methanone A solution of 3-bromo-2-fluoro-benzoic acid (0.500 g, 2.28 mmol), HATU (0.868 g, 2.28 mmol), 3-trifluoromethylpiperidine (0.402 g, 2.63 mmol) and DIPEA (0.885 g, 6.85 mmol) in DCM (10 ml_) was stirred for 4 h. The mixture was diluted with DCM and the organic phase washed with aqueous NaHC03 and dried by passage through a phase separation cartridge. Concentration to dryness gave the crude product (1 .89g, quantative), used without further purification. LC-MS m/z 354 (M + H) +, 1 .41 (ret. time).
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