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Chemical Structure| 95494-51-2 Chemical Structure| 95494-51-2

Structure of 95494-51-2

Chemical Structure| 95494-51-2

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Product Details of [ 95494-51-2 ]

CAS No. :95494-51-2
Formula : C12H12N2O3
M.W : 232.24
SMILES Code : O=C(O)CCCC(N1)=NC2=C(C=CC=C2)C1=O
MDL No. :MFCD05273570
InChI Key :IWUFDMAFCDCNMQ-UHFFFAOYSA-N
Pubchem ID :135406772

Safety of [ 95494-51-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 95494-51-2 ]

* 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 [ 95494-51-2 ]

[ 95494-51-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 25519-82-8 ]
  • [ 95494-51-2 ]
  • 2-{4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl}-3H-quinazolin-4-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20℃; for 18h; Example 1 Synthesis of 2-{4-[4-(4-methoxy-benzoyl)-piperidin-1 -yl]-4-oxo-butyl}-3H- quinazolin-4-one ("A1") EDCI NMM HOBt DMF To a solution of 4-(4-oxo-3,4-dihydro-quinazolin-2-yl)-butyric acid (51.0 mg, 0.22 mmol), <strong>[25519-82-8](4-methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride</strong> (84.4 mg, 0.33 mmol) and benzotriazol-1-ol hydrate (50.5 mg, 0.33 mmol) in DMF (0.5 ml_) are added N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (74.8 mg, 0.30 mmol) and 4-methylmorpholine (39.5 mg, 0.39 mmol). The mixture is stirred for 18 hours at room temperature. The reaction mixture is partitioned between water and dichloromethane. The organic phase is dried over sodium sulfate and evaporated. The residue is chromatographed on a silica gel column with methanol/dichloromethane as eluent to afford 2-{4-[4-(4- methoxy-benzoyl)-piperidin-1-yl]-4-oxo-butyl}-3H-quinazolin-4-one as colorless, amorphous solid; HPLC/MS 1.71 min (A), [M+H] 435; 1H NMR (400 MHz, DMSO-d6) delta 12.15 (s, 1 H), 8.08 (dd, J = 8.1 , 1.5 Hz, 1H), 8.04 - 7.95 (m, 2H), 7.76 (ddd, J = 8.5, 7.1 , 1.6 Hz, 1 H), 7.59 (dt, J = 8.1 , 0.8 Hz, 1H), 7.45 (ddd, J = 8.1 , 7.1 , 1.2 Hz, 1 H), 7.12 - 6.99 (m, 2H), 4.40 (d, J = 12.9 Hz, 1H), 3.93 (d, J = 13.7 Hz, 1 H), 3.85 (s, 3H), 3.65 (tt, J = 11.2, 3.6 Hz, 1 H), 3.25 - 3.11 (m, 1 H), 2.73 (td, J = 12.8, 2.8 Hz, 1 H), 2.65 (t, J = 7.4 Hz, 2H), 2.42 (td, J = 7.3, 2.9 Hz, 2H), 1.98 (p, J = 7.2 Hz, 2H), 1.77 (m, 2H), 1.51 (qd, J = 12.1 , 4.0 Hz, 1 H), 1.34 (qd, J = 12.1, 4.1 Hz, 1H).
  • 2
  • [ 2886-33-1 ]
  • [ 95494-51-2 ]
  • C30H29N3O6 [ No CAS ]
 

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