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Chemical Structure| 4363-13-7 Chemical Structure| 4363-13-7

Structure of 4363-13-7

Chemical Structure| 4363-13-7

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Product Details of [ 4363-13-7 ]

CAS No. :4363-13-7
Formula : C9H11N
M.W : 133.19
SMILES Code : C1NCC1C1=CC=CC=C1
MDL No. :MFCD11186825

Safety of [ 4363-13-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319-H335
Precautionary Statements:P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P370+P378-P403+P233+P235-P405-P501

Application In Synthesis of [ 4363-13-7 ]

* 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 [ 4363-13-7 ]

[ 4363-13-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4363-13-7 ]
  • [ 232275-53-5 ]
  • methyl 2,6-dichloro-4-(3-phenylazetidin-1-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 110℃; for 16.0h; To a solution of 0190-2 (260 mg, 915.71 umol) and 3-phenylazetidine (121.96 mg, 915.71 umol) in toluene (5 mL) was added Cs2C03 (895.07 mg, 2.75 mmol), Pd2(dba)3 (83.85 mg, 91.57 umol) and BINAP (57.02 mg, 91.57 umol), the solution was stirred at 110 C for 16.0 hours under nitrogen atmosphere. After the reaction was finished, the mixture was filtered and the filtrate was concentrated to get the crude product 0190-3 (300 mg, 97.44% yield) as a yellow solid.[1097] Agilent LCMS 1200-6120, Column: Halo Cl 8 (30 mm*4.6 mm*2.7 pm); Column Temperature: 40 C; Flow Rate: 3.0 mL/min; Mobile Phase: from 95% [water + 10 mM TFA] and 5% [CH3CN] to 0% [water + 10 mM TFA] and 100% [CH3CN] in 0.8 min, then under this condition for 0.4 min, finally changed to 95% [water + 10 mM TFA] and 5% [CH3CN] in 0.01 min. Purity is 67.59%. Rt = 0.921 min; MS Calcd.: 335.7; MS Found: 336.7 [M+H]+
 

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