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Chemical Structure| 543713-30-0 Chemical Structure| 543713-30-0

Structure of 543713-30-0

Chemical Structure| 543713-30-0

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Product Details of [ 543713-30-0 ]

CAS No. :543713-30-0
Formula : C7H12N2O
M.W : 140.18
SMILES Code : NCC1=CC(C(C)C)=NO1
MDL No. :MFCD07643181

Safety of [ 543713-30-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H335-H314
Precautionary Statements:P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 543713-30-0 ]

* 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 [ 543713-30-0 ]

[ 543713-30-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 543713-30-0 ]
  • [ 34113-69-4 ]
  • 4-chloro-3-hydroxy-N-[(3-isopropylisoxazol-5-yl)methyl]benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% To a scintillation vial equipped with a stir bar, 4-chloro-3-hydroxybenzic acid-(34113-69-4) (1000mg, 5.79mmol) HATU (2423.67mg, 6.37mmol) and (3-isopropyl-isoxazoyl-5-yl)-methylamine-(543713-30-0) (893.54mg, 6.37mmol) and DMF (10mL) were added and let stir for 5min. To this was added DIPEA (3.03mL, 17.38mmol) and let stir for 3h. Reaction was diluted into water, extracted with EtOAc, dried over MgSO4, filtered, and concentrated. Crude material was purified by flash chromatography, eluting from 0% to 80% EtOAc in hexanes. Organic solvents were removed in vacuo. (1.60g, 93%) 4-chloro-N-[(3-isopropylisoxazol-5-yl)methyl]-3-[(1-methyl-4-piperidyl)oxy]benzamide: To a scintillation vial equipped with a stir bar, 4-chloro-3-hydroxy-N-[(3-isopropylisoxazol-5-yl)methyl]benzamide (1000mg, 3.39mmol) 4-hydroxy-N-methylpiperidine (1172.29mg, 10.18mmol) and triphenylphosphine (1155.63mg, 4.41mmol) were dissolved in THF (8mL) . Reaction was cooled to 0C and DtBAD (1170.56mg, 5.09mmol) was added. Reaction was warmed to RT and let stir for 14h. Reaction was diluted in water, extracted with EtOAc, washed with brine, dried over MgSO4, filtered and concentrated. Crude material was purified by flash chromatography, eluting with 0-100% EtOAc in hexane and then 0-80% DCM/MeOH/NH4OH (89:10:1) in DCM. Organic solvents were removed in vacuo to obtain 4c a clear oil. (1.03g, 77%)
 

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