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Chemical Structure| 101333-98-6 Chemical Structure| 101333-98-6

Structure of 101333-98-6

Chemical Structure| 101333-98-6

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Product Details of [ 101333-98-6 ]

CAS No. :101333-98-6
Formula : C8H8N2O
M.W : 148.16
SMILES Code : NCC1=NC2=CC=CC=C2O1
MDL No. :MFCD03990563

Safety of [ 101333-98-6 ]

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

Application In Synthesis of [ 101333-98-6 ]

* 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 [ 101333-98-6 ]

[ 101333-98-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 41014-43-1 ]
  • [ 101333-98-6 ]
YieldReaction ConditionsOperation in experiment
With ammonium hydroxide; In tetrahydrofuran; at 20 - 60℃; for 22.5h; Under argon, chloroacetyl chloride (122 muL, 1.5 mmol) was added to a solution of 2-aminophenol (111 mg, 1 mmol) in xylenes (4 mL). Triethylamine (153 muL, 1.1 mmol) was next added dropwise. The resulting mixture was stirred for 2 hours at room temperature then at 145C overnight. An aqueous solution of ammonium chloride was added, and the mixture was extracted with ethyl acetate. The combined organic extracts were washed with brine, then dried over sodium sulfate, filtered and evaporated to give crude <strong>[41014-43-1]2-(chloromethyl)-1,3-benzoxazole</strong>. The latter compound was placed in a screwed-cap tube, and dissolved in THF (0.5 mL). An aqueous ammonium hydroxide solution (33%, 4 mL) was added. The reaction mixture was stirred 30 minutes at room temperature then 22 hours at 60C. Ethyl acetate was added and ammonia was evaporated. The aqueous layer was acidified to pH = I with cold 1N aqueous hydrochloric acid. Extraction with diethyl ether and ethyl acetate gave organic extracts which were discarded.. The aqueous layer was basified with aqueous sodium hydroxide to pH = 10, then extracted with diethyl ether and ethyl acetate. Combined organic extracts were dried over sodium sulfate, filtered and evaporated to give crude 1,3-benzoxazol-2-ylmethylamine (19.4 mg, 13%) as a brown solid. ESI-MS m/z 149 (M+H)+.
 

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