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[ CAS No. 585-36-4 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 585-36-4
Chemical Structure| 585-36-4
Structure of 585-36-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 585-36-4 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 585-36-4 ]

SDS

Product Details of [ 585-36-4 ]

CAS No. :585-36-4MDL No. :MFCD00034662
Formula :C7H9F3OBoiling Point :-
Linear Structure Formula :-InChI Key :YHADNJOEQWBXAR-UHFFFAOYSA-N
M.W :166.14Pubchem ID :2779355
Synonyms :

Computed Properties of [ 585-36-4 ]

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

Safety of [ 585-36-4 ]

Signal Word:WarningClass
Precautionary Statements:P261-P280-P305+P351+P338UN#:
Hazard Statements:H315-H317-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 585-36-4 ]

  • Downstream synthetic route of [ 585-36-4 ]

[ 585-36-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 585-36-4 ]
  • [ 151-50-8 ]
  • (1S,3S)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • (1R,3S)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • 2
  • [ 74-90-8 ]
  • [ 585-36-4 ]
  • (1S,3S)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • (1R,3S)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • (1S,3R)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • (1R,3R)-1-Hydroxy-3-trifluoromethyl-cyclohexanecarbonitrile [ No CAS ]
  • 3
  • [ 930-68-7 ]
  • [ 81290-20-2 ]
  • [ 585-36-4 ]
  • 4
  • [ 454-63-7 ]
  • [ 64-19-7 ]
  • chromium trioxide [ No CAS ]
  • [ 585-36-4 ]
  • 6
  • [ 585-36-4 ]
  • [ 95-92-1 ]
  • ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a solution of [585-36-4]3-(trifluoromethyl)cyclohexanone (3.3 g, 19.86 mmol) and diethyl oxalate (2.90 g, 19.86 mmol) in EtOH (20 ml) was added potassium tert-butoxide (19.86 ml, 19.86 mmol) at 0 C. The mixture was warmed up to RT upon completion of the KOtBu addition. The mixture was stirred at RT for 1.5 h. The mixture was then cooled back to 0 C, and hydrazine monohydrochloride (1.633 g, 23.84 mmol) in water (5 mL) was added. The mixture was stirred at RT overnight before the solvent was removed on rotovap. The residue was then partitioned between EtOAc (50 ml) and water (50 ml), and the combined organics were dried over Na2SO4and concentrated. The resulting mixture was purified by normal phase chromatography with EtOAc/hexane (5% to 100%) to afford the title compound as an oil. MS: 263.25 (M+1).
  • 7
  • [ 585-36-4 ]
  • [ 105-56-6 ]
  • ethyl 2-(cyclopropanecarbonylamino)-5-(trifluoromethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate [ No CAS ]
  • 8
  • [ 585-36-4 ]
  • 2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide [ No CAS ]
  • 9
  • [ 585-36-4 ]
  • 2-(cyclopropanecarbonylamino)-5-(trifluoromethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [ No CAS ]
  • 10
  • [ 585-36-4 ]
  • (5R)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide [ No CAS ]
  • (5S)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide [ No CAS ]
Historical Records

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