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Chemical Structure| 41776-24-3 Chemical Structure| 41776-24-3

Structure of 41776-24-3

Chemical Structure| 41776-24-3

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Product Details of [ 41776-24-3 ]

CAS No. :41776-24-3
Formula : C7H12ClNO
M.W : 161.63
SMILES Code : O=C(Cl)C1CCN(C)CC1
MDL No. :MFCD13173735

Safety of [ 41776-24-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H312-H314-H332
Precautionary Statements:P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 41776-24-3 ]

* 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 [ 41776-24-3 ]

[ 41776-24-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 718632-46-3 ]
  • [ 41776-24-3 ]
  • C22H35N5O5 [ No CAS ]
  • 2
  • [ 68947-43-3 ]
  • [ 41776-24-3 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; isobutyl chloroformate; for 1h; -Methylisonipecotic acid sodium salt (1.5 g) in DMF (14 ml) was treated with 1 N hydrochloric acid (9.1 ml) and dried to give a white solid. This solid was dissolved in isobutyl chloroformate (1.24 g) and triethylamine (1.0 g), followed by stirring for 1 hour. To the reaction mixture, CVAU (1.3 g) and triethylamine (2.7 g) were added and stirred overnight. After addition of methanol to stop the reaction, ethyl acetate was added. The organic layer was washed with saturated aqueous sodium bicarbonate and then with saturated aqueous sodium chloride, followed by evaporation to dryness under reduced pressure. The residue was purified by NH silica gel column chromatography (chloroform:methanol=7:1) to give a crude product. The crude product was immediately treated with a large excess of a 10percent hydrochloric acid/methanol solution to give a crude hydrochloride salt. This crude product was suspended in ethyl acetate, and the organic layer was washed with saturated aqueous sodium bicarbonate and evaporated to dryness under reduced pressure. The resulting residue was purified again by NH silica gel column chromatography (chloroform:methanol=7:1), treated with about 2 molar equivalents of a 10percent hydrochloric acid/methanol solution, and then lyophilized to give Compound 5 (182 mg). 1H-NMR (DMSO-d6) delta 11.60 (s, 1H), 7.63 (s, 1H), 7.20 (d, 1H, J=13.3 Hz), 6.64 (d, 1H, J=13.3 Hz), 6.04 (d, 1H, J=4.3 Hz), 5.72, 5.66 (each d, each 1H J=4.3, 3.6 Hz), 4.54 (dd, 1H, J=11.5 Hz, J=7.6 Hz), 4.19 (dd, 1H, J=11.4 Hz, J=3.0 Hz), 3.97 (m, 3H), 3.33-1.71 (m, 9H), 2.46 (s, 3H)MS (FAB): m/z 430
 

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