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Chemical Structure| 865980-54-7 Chemical Structure| 865980-54-7

Structure of 865980-54-7

Chemical Structure| 865980-54-7

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Product Details of [ 865980-54-7 ]

CAS No. :865980-54-7
Formula : C12H19NO2
M.W : 209.28
SMILES Code : COC(C12CC3C(C(CC(C3)C2)C1)N)=O
MDL No. :MFCD23704384

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Application In Synthesis of [ 865980-54-7 ]

* 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 [ 865980-54-7 ]

[ 865980-54-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 865980-54-7 ]
  • [ 180181-02-6 ]
  • 4-((3-(tert-butoxycarbonyl)amino)-2,2-dimethylpropanamido)adamantan-1-carboxylic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20℃; for 16h; 305 mg (1.40 mmol) of the 3-(t-butoxycarbonylamino)-2,2-dimethylpropanoic acid prepared in Preparational Example 21 and 379 mg (1.54 mmol) of the 4-amino-adamantane-1-carboxylic acid methyl ester prepared in Preparational Example 7 were dissolved in 5.0 ml of methylene chloride, to which 323 mg (1.38 mmol) of EDCI and 227 mg (1.68 mmol) of HOBt were added. 0.6 ml (4.21 mmol) of TEA was also added thereto. The reaction mixture was stirred at room temperature for 16 hours, followed by evaporation under reduced pressure to eliminate methylene chloride. The residue was dissolved in 10 ml of water, followed by extraction with 320 ml of ethyl acetate. The extract was dried over anhydrous magnesium sulfate, and evaporated under reduced pressure, followed by column chromatography to give 466 mg of 4-(3-(t-butoxycarbonyl)amido)-2,2-dimethylpropanamido)adamantan-1-carboxylic acid methyl ester (yield: 95%). 1H NMR (400 MHz, CDCl3) delta 6.11 (brs, 1H), 5.12 (brs, 1H), 3.98 (m, 1H), 3.67 (s, 3H), 3.24 (d, J = 6.4 Hz, 1H), 2.05-1.74 (m, 10H), 1.63 (s, 3H), 1.43 (s, 9H), 1.21 (s, 6H)
 

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