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Chemical Structure| 39891-55-9 Chemical Structure| 39891-55-9

Structure of 39891-55-9

Chemical Structure| 39891-55-9

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Product Details of [ 39891-55-9 ]

CAS No. :39891-55-9
Formula : C9H8O3
M.W : 164.16
SMILES Code : OC(=O)C1COC2=CC=CC=C12
MDL No. :MFCD08669486

Safety of [ 39891-55-9 ]

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

Application In Synthesis of [ 39891-55-9 ]

* 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 [ 39891-55-9 ]

[ 39891-55-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 39891-55-9 ]
  • [ 606-25-7 ]
  • N-(naphthalene-1-sulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃; for 0.416667h; A solution of Example 34A (2,3-dihydrobenzofuran-3-carboxylic acid) (25 mg, 0.152 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (58.4 mg, 0.305 mmol) and 4-dimethylaminopyridine (20.47 mg, 0.168 mmol) in CH2Cl2 (0.3 mL) was treated with <strong>[606-25-7]naphthalene-1-sulfonamide</strong> (34.7 mg, 0.168 mmol). The mixture was stirred at room temperature for 25 minutes, concentrated with a stream of nitrogen, dissolved in N,N-dimethylformamide (1 mL) and directly purified by reverse-phase HPLC [Waters XBridge RP18 column, 5 μm, 30*100 mm, flow rate 40 mL/minute, 5-40% (over 15 minutes) gradient of acetonitrile in 0.1% TFA] to provide the title compound. 1H NMR (400 MHz, dimethylsulfoxide-d6) δ ppm 12.97 (s, 1H), 8.69 (d, J=8.4 Hz, 1H), 8.29-8.25 (m, 2H), 8.10 (d, J=8.1 Hz, 1H), 7.84 (ddd, J=8.4, 6.9, 1.2 Hz, 1H), 7.73-7.69 (m, 1H), 7.68-7.64 (m, 1H), 7.11 (d, J=7.5 Hz, 1H), 7.02 (t, J=7.8 Hz, 1H), 6.65 (d, J=8.0 Hz, 1H), 6.59 (td, J=7.5, 0.8 Hz, 1H), 4.54-4.47 (m, 2H), 4.32 (t, J=7.5 Hz, 1H). LC/MS (APCI+) m/z 354 (M+H)+.
 

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