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Chemical Structure| 401495-67-8 Chemical Structure| 401495-67-8

Structure of 401495-67-8

Chemical Structure| 401495-67-8

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Product Details of [ 401495-67-8 ]

CAS No. :401495-67-8
Formula : C12H15ClN2O
M.W : 238.71
SMILES Code : O=C(Cl)C1=CC=C(N2CCN(C)CC2)C=C1
MDL No. :MFCD20483877

Safety of [ 401495-67-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 401495-67-8 ]

* 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 [ 401495-67-8 ]

[ 401495-67-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 401495-67-8 ]
  • [ 718632-46-3 ]
  • 6,6-dimethyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylic acid 5-tert-butyl ester 2-ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; for 6h;Heating / reflux; Example 1; 6,6-Dimethyl-3-[4-(4-methyl-piperazin-l-yl)-benzoylamino]-4,6-dihydro-lH- pyrrolo[3,4-c]pyrazole-2,5-dicarboxylic acid 5-tert-butyl ester 2-ethyl ester [Formula (IV), R = 4-(4-methyl-piperazin)-phenyl]; To a solution of 3-Amino-6,6-dimethyl-4H,6H-pyrrolo[3,4-c]pyrazole-2,5- dicarboxylic acid 5-tert-butyl ester 2-ethyl ester (2.50 g, 7.70 mmol) prepared as reported in WO2004/056827, N,N-diispropylethylamine (14.6ml, 33.6mmol) in anhydrous Dioxane (100 ml), 4-(4-Methyl-piperazin-l-yl)-benzoyl chloride (0.24 g ,1.00 mmol) was added. The reaction was heated to reflux and stirred for 6h. The solvent was removed under vacuum, the residue dissolved in CH2Cl2 (150 mL) and washed with brine (I X 10OmL). The organic phase was dried over sodium sulphate, the solvent evaporated in vacuo and the residue purified by flash chromatography (Acetone/DCM 80/20) affording 2.1O g (yield 52%) of the title compound. ESI MS: m/z 527 (MH+); 1H NMR (400 MHz, DMSO-d6): delta 10.69 (s, IH), 7.76 (m, 2H), 7.09 (m, 2H), 4.55 (d, 2H, J = 9.8 Hz), 4.48 (q, 2H, J = 7.1 Hz), 3.34 (m, 4H), 2.52 (m, 4H), 2.27 (s, 3H ), 1.64 (s, 3H ), 1.62 (s, 3H ), 1.47 (s, 9H), 1.38 (t, 3H, J= 7.1 Hz).
 

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