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Chemical Structure| 1297537-41-7 Chemical Structure| 1297537-41-7

Structure of 1297537-41-7

Chemical Structure| 1297537-41-7

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Product Details of [ 1297537-41-7 ]

CAS No. :1297537-41-7
Formula : C13H13ClN4
M.W : 260.72
SMILES Code : N#CC1=CC=C(C2=NN(C[C@@H](N)C)C=C2)C=C1Cl
MDL No. :MFCD30802585
InChI Key :MQWGPHFTKXGETE-VIFPVBQESA-N
Pubchem ID :67170882

Safety of [ 1297537-41-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1297537-41-7 ]

* 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 [ 1297537-41-7 ]

[ 1297537-41-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 63927-22-0 ]
  • [ 1297537-41-7 ]
  • (S)-2-chloro-4-(1-(2-(isoquinolin-8-ylamino)propyl)-1H-pyrazol-3-yl)benzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
28.6% With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos; In toluene; at 110℃;Inert atmosphere; General procedure: A suspension of intermediate 15(104.0 mg, 0.4 mmol), 7-bromoquinoline (124.8 mg, 0.6 mmol), t-BuONa (96.0 mg, 1.0 mmol), Pd2(dba)3 (18.0 mg, 0.019 mmol) andX-phos (9.6 mg, 0.02 mmol) in PhMe (2.8 ml) was degassed under astream of nitrogen over 10 min. The mixture was heated to 110 Cand stirred overnight. The resulting mixturewas filtered off and thesolution was concentrated under vacuum. The crude product waspurified by column chromatography on silica using a solvent of 60%ethyl acetate in hexanes. Compound 3l was obtained as a lightgreen solid (Yield: 60.0 mg, 38.8%).
  • 2
  • [ 1532-71-4 ]
  • [ 1297537-41-7 ]
  • (S)-2-chloro-4-(1-(2-(isoquinolin-1-ylamino)propyl)-1H-pyrazol-3-yl)benzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
41% With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 110℃;Inert atmosphere; General procedure: A suspension of intermediate 15(104.0 mg, 0.4 mmol), 7-bromoquinoline (124.8 mg, 0.6 mmol), t-BuONa (96.0 mg, 1.0 mmol), Pd2(dba)3 (18.0 mg, 0.019 mmol) andX-phos (9.6 mg, 0.02 mmol) in PhMe (2.8 ml) was degassed under astream of nitrogen over 10 min. The mixture was heated to 110 Cand stirred overnight. The resulting mixturewas filtered off and thesolution was concentrated under vacuum. The crude product waspurified by column chromatography on silica using a solvent of 60%ethyl acetate in hexanes. Compound 3l was obtained as a lightgreen solid (Yield: 60.0 mg, 38.8%).
 

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