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[ CAS No. 91774-53-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 91774-53-7
Chemical Structure| 91774-53-7
Structure of 91774-53-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 91774-53-7 ]

CAS No. :91774-53-7 MDL No. :MFCD21362373
Formula : C7H16ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 165.66 Pubchem ID :-
Synonyms :

Safety of [ 91774-53-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 91774-53-7 ]

* 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 [ 91774-53-7 ]

[ 91774-53-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 878631-04-0 ]
  • [ 91774-53-7 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogenchloride In 1,4-dioxane; dichloromethane 18.b b) 4-Methylhexahydro-1 H-azepin-4-ol (19); To a CH2CI2 solution (30 rnL, 0.2 M) of 1 ,1 -dimethylethyl 4-hydroxy-4- methylhexahydro-1 H-azepine-1 -carboxylate from Example 18a (1.4 g, 6.16 mmol) was added HCI (4.6 ml_, 4M in dioxane). After stirring overnight, the reaction mixture was concentrated to provide the amine*HCI salt as a white solid (1.05 g, quant.) which was carried forward without further purification: 1H NMR (400 MHz, dmso-d6): δ ppm 8.83 (s, 2 H) 4.54 (s, 1 H) 3.12 - 3.21 (m, 1 H) 3.09 (td, J=6.69, 3.03 Hz, 1 H) 2.92 - 3.01 (m, 2 H) 1.83 (ddd, J= 15.35, 10.67, 2.02 Hz, 2 H) 1.70 (td, J= 15.35, 6.95 Hz, 2 H) 1.52 - 1.62 (m, 2 H) 1.14 (s, 3 H).
  • 2
  • [ 91774-53-7 ]
  • [ 42098-25-9 ]
  • [ 1428574-27-9 ]
YieldReaction ConditionsOperation in experiment
66% With N-ethyl-N,N-diisopropylamine; In ethanol; at 130℃; for 1h;Microwave irradiation; 1 mL/min, 30 mm 10% Pd/C cartridge) and the solvent removed under reduced pressure. The residue was dissolved in DMSO (10 mL) and <strong>[42098-25-9]5-chloro-1-methyl-4-nitro-1H-pyrazole</strong> (521 mg, 3.23 mmol) and potassium fluoride (750 mg, 12.91 mmol) were added. The reaction mixture was heated at 75 C. for 16 hr before being quenched with water (30 mL). The mixture was extracted with EtOAc (3*30 mL) and the combined organic layers were washed with water (20 mL), separated, dried over MgSO4 and the solvent removed under reduced pressure. Purification via silica gel column chromatography (0-100% EtOAc/isohexane) gave 4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)azepan-4-ol as a yellow oil (290 mg).
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