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Chemical Structure| 361436-27-3 Chemical Structure| 361436-27-3

Structure of 361436-27-3

Chemical Structure| 361436-27-3

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Product Details of [ 361436-27-3 ]

CAS No. :361436-27-3
Formula : C13H18BrNO2
M.W : 300.19
SMILES Code : CC1=CC(NC(=O)OC(C)(C)C)=CC(C)=C1Br
MDL No. :MFCD17214234
InChI Key :CMNVKVHPODARGJ-UHFFFAOYSA-N
Pubchem ID :22662122

Safety of [ 361436-27-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P261-P280-P305+P351+P338-P304+P340

Application In Synthesis of [ 361436-27-3 ]

* 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 [ 361436-27-3 ]

[ 361436-27-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 31825-29-3 ]
  • [ 361436-27-3 ]
  • [ 374713-23-2 ]
YieldReaction ConditionsOperation in experiment
With methyllithium; tert.-butyl lithium; In cyclohexane; pentane; Example V tert-Butyl 4-[hydroxy(4-methoxy-3-isopropylphenyl)methyl]-3,5-dimethylphenylcarbamate 970 mg (3.23 mmol) of tert-butyl 4-bromo-3,5-dimethylphenylcarbamate (Example IV) are dissolved in 3 ml of cyclohexane and 3 ml of ether, cooled to -78 C., and added dropwise to 2.53 ml of 1.6 M methyllithium in ether at -78 C. After stirring at this temperature for 10 minutes, 3.8 ml of 1.7 M tert-butyllithium in pentane are added dropwise. The mixture is stirred at -78 C. for 1 hour and, after addition of 518 mg (2.9 mmol) of <strong>[31825-29-3]3-isopropyl-4-methoxybenzaldehyde</strong> dissolved in 1 ml of ether/cyclohexane (1/1), stirred at -78 C. for 30 min and at room temperature for one hour. It is diluted with water and ether, the organic phase is washed with 10% strength citric acid solution, sodium bicarbonate solution and water and dried over sodium sulphate, and the solvent is removed in vacuo. Purification by chromatography (cyclohexane/ethyl acetate=9:1) affords 0.76 g (53%) of tert-butyl 4-[hydroxy(4-methoxy-3-isopropylphenyl)methyl]-3,5-dimethylphenylcarbamate. 1H-NMR (400 MHz, CDCl3): 1.16, d, 3H; 1.20, d, 3H; 1.52, s, 9H; 2.05, d, 1H; 2.25, s, 6H; 3.28, hept, 1H; 3.81, s, 3H; 6.26, d, 1H; 6.40, s, 1H; 6.72, m, 1H; 6.90, dd, 1H; 7.06, s, 2H; 7.22,m, 1H.
 

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