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Chemical Structure| 1245606-62-5 Chemical Structure| 1245606-62-5

Structure of 1245606-62-5

Chemical Structure| 1245606-62-5

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Product Details of [ 1245606-62-5 ]

CAS No. :1245606-62-5
Formula : C11H16ClNO2
M.W : 229.70
SMILES Code : O=C(OC)C[C@H](N)C1=CC=C(C)C=C1.[H]Cl
English Name :Methyl (S)-3-amino-3-(p-tolyl)propanoate hydrochloride
MDL No. :MFCD12911026

Safety of [ 1245606-62-5 ]

Application In Synthesis of [ 1245606-62-5 ]

* 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 [ 1245606-62-5 ]

[ 1245606-62-5 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 1245606-62-5 ]
  • [ 108-24-7 ]
  • [ 434957-80-9 ]
YieldReaction ConditionsOperation in experiment
Stage #1: (S)-3-methoxy-3-oxo-1-p-tolylpropan-1-amine hydrochloride With sodium hydrogencarbonate In water for 0.166667h; Inert atmosphere; Stage #2: acetic anhydride In dichloromethane for 0.5h; Inert atmosphere;
  • 2
  • [ 1245606-51-2 ]
  • [ 1245606-62-5 ]
YieldReaction ConditionsOperation in experiment
90% With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,1'-bis[(S)-4,5-dihydro-3H-binaphtho[2,1-c:1',2'-e]phosphino]ferrocene; hydrogen In methanol; dichloromethane at 20℃; for 12h; optical yield given as %ee; enantioselective reaction;
  • 5
  • [ 1245606-62-5 ]
  • [ 3054255-60-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: potassium carbonate / acetonitrile / 5 h / 80 °C 2.1: potassium hexamethylsilazane / tetrahydrofuran; toluene / 1 h / -78 °C 2.2: 2 h / -78 °C 3.1: Pd/C; hydrogen / methanol / 20 °C / 760.05 Torr 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; pyridine / 0.5 h / 20 °C 5.1: sodium hydroxide / water; 1,4-dioxane / 8 h / 20 °C
  • 6
  • [ 1245606-62-5 ]
  • [ 3054255-51-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetonitrile / 5 h / 80 °C 2.1: potassium hexamethylsilazane / tetrahydrofuran; toluene / 1 h / -78 °C 2.2: 2 h / -78 °C
  • 7
  • [ 1245606-62-5 ]
  • [ 3054255-55-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetonitrile / 5 h / 80 °C 2.1: potassium hexamethylsilazane / tetrahydrofuran; toluene / 1 h / -78 °C 2.2: 2 h / -78 °C
  • 8
  • [ 1245606-62-5 ]
  • [ 3054255-52-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium carbonate / acetonitrile / 5 h / 80 °C 2.1: potassium hexamethylsilazane / tetrahydrofuran; toluene / 1 h / -78 °C 2.2: 2 h / -78 °C 3.1: Pd/C; hydrogen / methanol / 20 °C / 760.05 Torr
 

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