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Chemical Structure| 30011-36-0 Chemical Structure| 30011-36-0

Structure of 30011-36-0

Chemical Structure| 30011-36-0

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Product Details of [ 30011-36-0 ]

CAS No. :30011-36-0
Formula : C9H10ClN
M.W : 167.64
SMILES Code : NCC#CC1=CC=CC=C1.[H]Cl
MDL No. :MFCD00055198
InChI Key :NOXMJZCFMAEDRF-UHFFFAOYSA-N
Pubchem ID :11957674

Safety of [ 30011-36-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-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 [ 30011-36-0 ]

* 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 [ 30011-36-0 ]

[ 30011-36-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 30011-36-0 ]
  • [ 144657-66-9 ]
  • tert-butyl 8-benzyl-9H-pyrrolo[2,3-b:4,5-c']dipyridine-9-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 - 80℃; for 9.0h;Molecular sieve; Inert atmosphere; <strong>[144657-66-9]tert-butyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate</strong> (1s, 147 mg, 0.60 mmol), 3-phenylprop-2-yn-1-amine hydrochloride (2b, 150 mg, 0.90 mmol) and NaHCO3 (151 mg, 1.80 mmol) in DMF (3 mL) were stirred for 3 h at room temperature followed by 6 h at 80 C. After column chromatography (CH2Cl2/MeOH 100:0 to 99:1), 174 mg (81%) of a pale, yellow solid was obtained. Rf=0.4 (CH2Cl2/MeOH 95:5), mp=137-138 C.; 1H NMR (400 MHz, CDCl3): delta 9.22 (s, 1H), 8.55 (dd, J=4.8, 1.7 Hz, 1H), 8.47 (s, 1H), 8.35 (dd, J=7.7, 1.7 Hz, 1H), 7.34 (dd, J=7.7, 4.8 Hz, 1H), 7.24-7.17 (m, 3H), 7.05 (d, J=6.8 Hz, 2H), 4.46 (s, 2H), 1.59 (s, 9H); 13C{1H}NMR (100 MHz, CDCl3): delta 151.6, 149.7, 149.2, 148.0, 141.5, 141.2, 138.7, 132.6, 128.5, 128.4, 126.4, 121.7, 119.2, 118.9, 115.5, 85.5, 37.0, 27.8; FTIR (neat): 3063, 2976, 2925, 1739, 1576, 1495, 1400, 1254, 11456, 892, 757, 706 cm-1; MS (ESI): m/z 360 (M+H)+; HRMS (ESI): m/z calcd for C22H22N3O2 (M+H)+: 360.1707. found: 360.1709.
 

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