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Chemical Structure| 202135-70-4 Chemical Structure| 202135-70-4

Structure of 202135-70-4

Chemical Structure| 202135-70-4

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Product Details of [ 202135-70-4 ]

CAS No. :202135-70-4
Formula : C8H12N4
M.W : 164.21
SMILES Code : C1CN(CCN1)C1=CN=CN=C1
MDL No. :MFCD11872783

Safety of [ 202135-70-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3259
Packing Group:

Application In Synthesis of [ 202135-70-4 ]

* 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 [ 202135-70-4 ]

[ 202135-70-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 634468-96-5 ]
  • [ 202135-70-4 ]
YieldReaction ConditionsOperation in experiment
196 mg With trifluoroacetic acid; In dichloromethane; at 20℃; for 1h; General procedure: 2-Chloro-4-iodotoluene (250muL, 1.78mmol), 1-Boc-piperazine (398mg, 2.14mmol), Pd2(dba)3 (40.8mg, 0.045mmol), Xantphos (103mg, 0.178mmol) and potassium tert-butoxide (280mg, 2.50mmol) were dissolved in toluene (5mL) and heated at reflux for 16h under N2. The reaction was then concentrated and dissolved in EtOAc (20mL), filtered through celite and washed with additional EtOAc (50mL). The organic layer was washed with water (2×20mL) and brine (2×20mL), then dried with Na2SO4 and concentrated in vacuo. The crude residue was then purified by column chromatography (100% CyHex to 10% EtOAc/CyHex) to obtain the protected intermediate as an oil (436mg, 79%). MS, m/z=311 (100) [M+H]+, 313 (30). The intermediate was then dissolved in a 1:3 mixture of TFA/DCM (4mL) and stirred at 20C for 1h. The solvent was then evaporated in vacuo and the crude residue dissolved in EtOAc (10mL) which was then successively washed with a 10% NaHCO3 solution (10mL), water (10mL) and brine (10mL). The organic layer was then dried with Na2SO4 and concentrated in vacuo to obtain 106 as a solid (288mg, 97%).
 

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