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Chemical Structure| 31408-23-8 Chemical Structure| 31408-23-8

Structure of 31408-23-8

Chemical Structure| 31408-23-8

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Product Details of [ 31408-23-8 ]

CAS No. :31408-23-8
Formula : C10H9N3
M.W : 171.20
SMILES Code : NC1=NC=C(C2=CC=CC=C2)C=N1
MDL No. :MFCD01646362
InChI Key :JYGOFGJNWGAPAN-UHFFFAOYSA-N
Pubchem ID :12343511

Safety of [ 31408-23-8 ]

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 [ 31408-23-8 ]

* 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 [ 31408-23-8 ]

[ 31408-23-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1445-39-2 ]
  • [ 98-80-6 ]
  • [ 31408-23-8 ]
YieldReaction ConditionsOperation in experiment
90% With potassium phosphate; palladium diacetate; In ethylene glycol; at 80℃; for 2h; Based on a literature method [34] 16 <strong>[1445-39-2]2-amino-5-iodopyrimidine</strong> (2.00g, 9.05mmol), 68 phenylboronic acid (1.66mg, 13.57mmol), 69 Pd(OAc)2 (20mg, 0.09mmol) and K3PO4·7H2O (3.84mg, 18.1mmol) in 70 ethylene glycol (36mL) were heated at 80C for 120min. The reaction was then allowed to cool to rt, and it was added to brine, extracted with Et2O (3×50mL), dried over Na2SO4 and concentrated in vacuo. Then 71 NaOH (3.6g) was added and stirred for 2h. The mixture was added to brine and extracted with Et2O (3×100mL) to give 17 6 as a light yellow solid (1.40g, 90%). mp 161-163C (lit. 158-159C [35]), 1H NMR (400MHz, MeOH-d4) delta 8.53 (s, 2H), 7.56-7.49 (m, 2H), 7.47-7.39 (m, 2H), 7.37-7.30 (m, 1H).
 

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