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Chemical Structure| 5333-86-8 Chemical Structure| 5333-86-8

Structure of 5333-86-8

Chemical Structure| 5333-86-8

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Product Details of [ 5333-86-8 ]

CAS No. :5333-86-8
Formula : C9H12ClNO
M.W : 185.65
SMILES Code : N=C(OCC)C1=CC=CC=C1.[H]Cl
MDL No. :MFCD00043246
InChI Key :MODZVIMSNXSQIH-UHFFFAOYSA-N
Pubchem ID :79249

Safety of [ 5333-86-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 5333-86-8 ]

* 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 [ 5333-86-8 ]

[ 5333-86-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 69583-00-2 ]
  • [ 5333-86-8 ]
  • [ 173599-02-5 ]
  • 2
  • [ 17672-21-8 ]
  • [ 5333-86-8 ]
  • [ 128156-57-0 ]
YieldReaction ConditionsOperation in experiment
In ethanol; water; (b) 2nd Stage--Preparation of Methyl 2-phenylbenzoxazole-4-carboxylate To Methyl 2-amino-3-hydroxybenzoate (0.10 g; 0.59 mmol) was added ethyl benzimidate hydrochloride (0.167 g; 0.998 mmol) in anhydrous ethanol (20 ml). This was refluxed for 20 hours, and the reaction followed by TLC (1:4 Ethyl acetate:petrol). The ethanol was removed under reduced pressure and the solid dissolved in water (20 ml), the organics were extracted into ethyl acetate (3*20 ml), pooled, and washed with sodium hydroxide solution (2*10 ml; 0.2M), water (2*10 ml) and then dried over magnesium sulfate. The solvent was removed under reduced pressure to yield a yellow solid. The title compound was isolated by flash chromatography (eluant as for TLC), yielding an off-white crystalline solid. (85%). IR: cm-1, 1714. 1 H: d6 DMSO: delta=4.1 (3H; s; OCH3), 7.39 (1H; t; J=6 Hz; H6), 7.5 (3H; m; H3 '; H4 '; H5 '), 7.78 (1H; dd J=7.0, 1.0 Hz; H7;), 8.0 (1H; dd; J=6.67 & 1.14 Hz; H5 '), 8.3 (2H; m; H2 '; H6 ').
  • 3
  • [ 5333-86-8 ]
  • [ 927689-69-8 ]
 

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