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Chemical Structure| 57835-96-8 Chemical Structure| 57835-96-8

Structure of 57835-96-8

Chemical Structure| 57835-96-8

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Product Details of [ 57835-96-8 ]

CAS No. :57835-96-8
Formula : C8H5ClN2O
M.W : 180.59
SMILES Code : OC1=NN=CC2=C1C=CC(Cl)=C2
MDL No. :MFCD13190052
InChI Key :XDECIMXTYLBMFQ-UHFFFAOYSA-N
Pubchem ID :12298541

Safety of [ 57835-96-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 57835-96-8 ]

* 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 [ 57835-96-8 ]

[ 57835-96-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 57835-96-8 ]
  • [ 170230-88-3 ]
  • [ 909185-83-7 ]
YieldReaction ConditionsOperation in experiment
With N-cyclohexyl-cyclohexanamine;tris-(dibenzylideneacetone)dipalladium(0); 2-(dicyclohexylphosphino)-2'-methylbiphenyl; In water; butan-1-ol; at 85℃; A 10 mL round bottom flask was charged with 6-chlorophthalazin-1-ol (0.35 g, 1.94 mmol), <strong>[170230-88-3]3-borono-4-methylbenzoic acid</strong> (0.42 g, 2.3 mmol), Pd2(dba)3 (9 mg, 9.8 mumol), and 2-(dicyclohexylphosphino)-2'-methylbiphenyl (9 mg, 25 mumol). The flask was evacuated and back-filled with nitrogen. Deoxygenated solvents, 1-butanol (2.0 mL), water (0.5 mL) and dicyclohexylamine (1.5 mL, 7.8 mmol), were added sequentially. The reaction mixture was then heated at 85 C. under nitrogen with efficient stirring overnight. 6 N NaOH aq. (2 mL, 12 mmol) was added and the reaction mixture was stirred until all solids dissolved. The reaction mixture was allowed to warm to RT and water (10 mL) was added. The reaction mixture was transferred into separatory funnel where the layers were separately collected. The aqueous layer was extracted with DCM (2×10 mL). All the organic solutions were discarded. The aqueous layer was adjusted to about pH 6 using 5N HCl. The resulting fine precipitate was collected by filtration, rinsed thoroughly with water, and air-dried. Oven drying of the solid afforded 3-(1-hydroxyphthalazin-6-yl)-4-methylbenzoic acid as a fine off-white powder.
  • 2
  • [ 57835-96-8 ]
  • [ 170230-88-3 ]
  • [ 909185-83-7 ]
  • [ 99-94-5 ]
 

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