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Chemical Structure| 81124-48-3 Chemical Structure| 81124-48-3

Structure of 81124-48-3

Chemical Structure| 81124-48-3

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Product Details of [ 81124-48-3 ]

CAS No. :81124-48-3
Formula : C9H9NO2
M.W : 163.17
SMILES Code : O=C(OC)/C=C/C1=CC=CN=C1
MDL No. :MFCD00970044
InChI Key :APCQGKVIYRVRKN-SNAWJCMRSA-N
Pubchem ID :5357687

Safety of [ 81124-48-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H317-H319
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 81124-48-3 ]

* 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 [ 81124-48-3 ]

[ 81124-48-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 81124-48-3 ]
  • [ 120277-39-6 ]
YieldReaction ConditionsOperation in experiment
[0364] Step B: [0365] To the solution of the crude product from Step A (1.02 g, 6.3 mmol) in CH2Cl2 (50 mL) at -78° C. was added diisobutylaluminum hydride (1.0 M in CH2Cl2, 16 mL). The reaction was stirred at -78° C. for 10 min before being quenched with MeOH (5 mL) followed by 2.5 N aq. NaOH (50 mL). The mixture was extracted with CH2Cl2 (50 mL.x.2). The resulting solution was washed with sat. aq. NaCl, dried over MgSO4 and concentrated.
  • 2
  • [ 120277-39-6 ]
  • [ 16105-24-1 ]
  • [ 81124-48-3 ]
  • [ 1972-28-7 ]
  • [ 120277-40-9 ]
YieldReaction ConditionsOperation in experiment
37% With diisobutylaluminum hydride; triphenylphosphine; In diethyl ether; chloroform; ethyl acetate; toluene; petrol; EXAMPLES 213-219 A solution of diethyl azodicarboxylate (1.6 g) in chloroform (5 ml) was added dropwise to a mixture of 1,2-dihydro-1-carboethoxy-3H-indazol-3-one (1.5 g), triphenylphosphine (2 g) and trans-3-(3-pyridyl)-allyl alcohol [0.95 g; itself prepared from methyl trans-3-(3-pyridyl)-acrylate (J. Het. Chem., 1985, 22, 65) as an oil of satisfactory purity on reduction at 0° C. with a solution of di-isobutylaluminium hydride in toluene] in chloroform (20 ml). The mixture was stirred at ambient temperature for 16 hours and then evaporated to dryness. Diethyl ether was added, the mixture was filtered and the filtrate was evaporated The residue was chromatographed using an increasing gradient of ethyl acetate in petrol as eluant to give 1,2-dihydro-1-carboethoxy-2-[trans-3-(3-pyridyl)allyl]-3H-indazol-3-one (Ex. 213) as an oil (0.84 g) in 37percent yield and of satisfactory purity as judged by NMR and mass spectral analysis. Using a similar alkylation procedure, but employing the appropriate alcohol instead of the allyl alcohol used immediately above, there were obtained the following compounds of formula C (Ra=Rb=H; Rd=CO2 Et):
  • 3
  • [ 81124-48-3 ]
  • [ 1017553-74-0 ]
 

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