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Chemical Structure| 863600-81-1 Chemical Structure| 863600-81-1

Structure of 863600-81-1

Chemical Structure| 863600-81-1

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Product Details of [ 863600-81-1 ]

CAS No. :863600-81-1
Formula : C12H22N2O2
M.W : 226.32
SMILES Code : O=C(N1C[C@]2([H])[C@](C[C@H](N)C2)([H])C1)OC(C)(C)C
MDL No. :MFCD29056567
InChI Key :DPYIUHWPQGIBSS-ULKQDVFKSA-N
Pubchem ID :58147576

Safety of [ 863600-81-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 863600-81-1 ]

* 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 [ 863600-81-1 ]

[ 863600-81-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 863600-81-1 ]
  • [ 17794-48-8 ]
  • endo-5-[2-(3-trifluoromethylbenzoylamino)acetylamino]octahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% Part C: Preparation of endo-5-[2-(3-trifluoromethylbenzoylamino)acetylamino]octahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester A solution of (3-trifluoromethylbenzoylamino)acetic acid (71 mg, 503 mumol) in tetrahydrofuran (1.5 mL) was treated with N-methylmorpholine (83 muL, 756 mumol). The solution was stirred in an ice/acetone bath, and treated dropwise with isobutyl chloroformate. The resulting mixture was stirred for about 2 min, and then a solution of endo-5-aminooctahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester (114 mg, 503 mumol) in tetrahydrofuran (1 mL) and N,N-dimethylformamide (1 mL) containing N-methylmorpholine (50 muL) was added. The mixture was warned to room temperature where it stirred for 40 min. After this time, the mixture was concentrated under vacuum to yield a residue. The residue was partitioned between water and ethyl acetate. The organic phase was washed sequentially with pH 4 buffer, a saturated aqueous sodium hydrogen carbonate solution, water, and a saturated aqueous sodium chloride solution. The organic phase was dried over sodium sulfate and concentrated to yield a residue. The residue was purified by flash column chromatography to provide an amorphous solid (115 mg, 50%). 1H NMR (400 MHz, CDCl3) delta 8.04 (s, 1H), 7.95 (d, J=8.1 Hz, 1H), 7.71 (d, J=7.6 Hz, 1H), 7.52 (t, J=7.9 Hz, 1H), 7.33 (bt, J=4.6 Hz, 1H), 6.58 (d, J=7.1 Hz, 1H), 4.19 (m, 1H), 4.04 (d, J=4.6 Hz, 2H), 3.38 (m, 2H), 3.23 (dd, J=11.4, 2.8 Hz, 2H), 2.56 (m, 2H), 2.28 (m, 2H), 1.39 (s, 9H), 1.26 (m, 2H). MS (ES+) m/z 456.27 (M+H+).
  • 2
  • [ 863600-81-1 ]
  • [ 75792-33-5 ]
  • [ 1217315-34-8 ]
 

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