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Chemical Structure| 112776-83-7 Chemical Structure| 112776-83-7

Structure of 112776-83-7

Chemical Structure| 112776-83-7

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Product Details of [ 112776-83-7 ]

CAS No. :112776-83-7
Formula : C11H12BrNO4
M.W : 302.12
SMILES Code : O=C(C1=NC(C(OCC)=O)=CC(Br)=C1)OCC
MDL No. :MFCD09910265

Safety of [ 112776-83-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 112776-83-7 ]

* 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 [ 112776-83-7 ]

[ 112776-83-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 135159-25-0 ]
  • [ 112776-83-7 ]
  • [ 856133-07-8 ]
YieldReaction ConditionsOperation in experiment
54% With caesium carbonate;tetrakis(triphenylphosphine) palladium(0); In DMF (N,N-dimethyl-formamide); at 95℃; for 48h; 2,4, 6-trimethoxyphenylboronic acid (2.12 g, 10.0 mmol) and diethyl 4-bromopyridine-2, 6-dicarboxylate (3.33 g, 11.0 mmol) were dissolved in dry DMF (50 mL). Caesium carbonate (4.56 g, 14.0 mmol) and tetra- kis (triphenylphosphine)-palladium (0) (0.23 g, 0.20 mmol) were added, and the mixture was deaerated with argon. The mixture was heated at 95 C for 48 h. The mixture was allowed to cool to room temperature and filtered. The filtrate was concentrated in vacuo, the residue was dissolved in chloroform (60 mL) and washed with 10% aq. citric acid and water, dried over Na2SO4 and con- centrated. Purification was performed on silica gel (eluent petroleum ether bp 40-60 C ; ethyl acetate 5: 3 ~ 2: 5, v/v). Yield was 2.09 g (54%).'H NMR (CDCI3) : 5 1.45 (6H, t, J 7.1) ; 3.74 (6H, s); 3.90 (3H, s); 4,49 (4H, q, J 7.1) ; 6.22 (2H, s); 8.28 (2H, s). IR (film)/ cm-1 1743,1610 (C=O) ; 1339,1238, 1128 (C-O), ESI-MS : [M+H] + 390. 19 calc. for C2oH24N07+ 390.15.
  • 2
  • [ 68631-52-7 ]
  • [ 112776-83-7 ]
YieldReaction ConditionsOperation in experiment
92% copying of Exp details for full text of reaction could not possible.
 

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