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Chemical Structure| 57598-33-1 Chemical Structure| 57598-33-1

Structure of 57598-33-1

Chemical Structure| 57598-33-1

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Product Details of [ 57598-33-1 ]

CAS No. :57598-33-1
Formula : C12H15NO2
M.W : 205.25
SMILES Code : CC1(C)N=C(C2=CC=CC=C2OC)OC1
MDL No. :MFCD00151837
InChI Key :ZGDUNGBWVZKWGE-UHFFFAOYSA-N
Pubchem ID :333189

Safety of [ 57598-33-1 ]

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

Application In Synthesis of [ 57598-33-1 ]

* 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 [ 57598-33-1 ]

[ 57598-33-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57598-33-1 ]
  • p-iodo-n-butylbenzene [ No CAS ]
  • [ 60-29-7 ]
  • [ 557-91-5 ]
  • [ 20651-67-6 ]
  • [ 84392-20-1 ]
YieldReaction ConditionsOperation in experiment
25% With magnesium; In tetrahydrofuran; dichloromethane; water; a. Preparation of 2-(4,4-Dimethyl-2-oxazolin-2-yl)-4'-n-butylbiphenyl A mechanically stirred solution of magnesium turnings (Mallinckrodt, for Grignard's reaction, 3.75 g., 0.154 mole) and 2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline (30 g, 0.146 mole) in 50 mL dry tetrahydrofuran under nitrogen was prepared. To this was added a crystal of iodine, 1 mL of dibromoethane and 2 mL of neat p-Iodo n-butylbenzene to initiate the Grignard reaction. After warming to initiate the reaction, the remainder of the p-iodo-n-butylbenzene (40 g, 0.154 mole) in 50 mL dry tetrahydrofuran was added dropwise at a rate sufficient to maintain the reaction at gentle reflux. The addition took 1 hr and the reaction mixture was then heated at reflux for 3 hr. The reaction was then cooled to room temperature and 15 mL water was added dropwise to coagulate the salts. The tetrahydrofuran was decanted and the remaining solids were slurried twice with 200 mL ethyl ether and twice with 300 mL dichloromethane. Each organic extract was decanted from the solids in turn and combined and evaporated under reduced pressure to an oil. The oil was redissolved in 300 mL dichloromethane, washed once with 100 ml saturated sodium chloride solution, dried and concentrated under reduced pressure. The resulting residue was distilled under reduced pressure (0.027 Torr, 130) to yield 2-(4,4-dimethyl-2-oxazolin-2-yl)-4'-n-butylbiphenyl as an oil, yield 25%.
 

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