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Chemical Structure| 33693-84-4 Chemical Structure| 33693-84-4

Structure of 33693-84-4

Chemical Structure| 33693-84-4

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Product Details of [ 33693-84-4 ]

CAS No. :33693-84-4
Formula : C12H14O4
M.W : 222.24
SMILES Code : O=C(O)C1=CC=CC=C1C(OC(C)(C)C)=O
MDL No. :MFCD00043711
InChI Key :PBUQZKXKYSAJDO-UHFFFAOYSA-N
Pubchem ID :134976

Safety of [ 33693-84-4 ]

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

Application In Synthesis of [ 33693-84-4 ]

* 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 [ 33693-84-4 ]

[ 33693-84-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 33693-84-4 ]
  • [ 17701-61-0 ]
  • 2-(2-benzyloxycarbonyl-2-methylpropoxycarbonylamino)benzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
89% tert-Butyl phthalate (5.38 g) was dissolved in toluene (50 ml). To this solution were successively added triethylamine (3.7 ml) and diphenylphosphoryl azide (5.7 ml) and the mixture was heated to 130C and stirred for 1 hr. The reaction mixture was allowed to cool to room temperature and <strong>[17701-61-0]3-hydroxy-2,2-dimethylpropionic acid benzyl ester</strong> obtained in Example 1-4 a) (4.95 g) was added. The mixture was stirred at room temperature for 17 hr. The reaction mixture was diluted with ethyl acetate (50 ml), washed successively with water (50 ml) and saturated aqueous sodium chloride solution (5 ml), dried and concentrated under reduced pressure. The obtained oily substance was purified by silica gel column chromatography (n-hexane/ethyl acetate=1:1). The oily substance (3.28 g) after purification was dissolved in dichloromethane (30 ml). This solution was cooled to 0C and trifluoroacetic acid (30 ml) was added. The mixture was heated to room temperature and stirred for 3 hr. The reaction mixture was concentrated under reduced pressure, after which water (50 ml) was added, and the mixture was extracted with ethyl acetate (150 ml). The organic layer was washed successively with water (50 ml×3) and saturated aqueous sodium chloride solution (50 ml), dried and concentrated under reduced pressure. The obtained oily substance was purified by column chromatography to give the title compound (2.54 g, yield 89%) as a colorless oil.1H-NMR(delta, 300MHz, DMSO-d6) 1.22(6H,s),4.20(2H,s), 5.13(2H,s),7.12(1H,m),7.25-7.34 (5H,m),7.60(1H,m), 7.99(1H,dd,J=1.6,7.9Hz),8.23(1H,d,J=7.9Hz),10.72(1H,s),13.63(1 H,brs).
 

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