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Chemical Structure| 41608-64-4 Chemical Structure| 41608-64-4

Structure of 41608-64-4

Chemical Structure| 41608-64-4

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Product Details of [ 41608-64-4 ]

CAS No. :41608-64-4
Formula : C9H11NO3
M.W : 181.19
SMILES Code : C1=C(C(OC)=O)C=CC(=C1OC)N
MDL No. :MFCD00017203
Boiling Point : No data available
InChI Key :DJLFOMMCQBAMAA-UHFFFAOYSA-N
Pubchem ID :602411

Safety of [ 41608-64-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 41608-64-4 ]

* 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 [ 41608-64-4 ]

[ 41608-64-4 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 108-11-2 ]
  • [ 755039-55-5 ]
  • [ 41608-64-4 ]
  • [ 957855-48-0 ]
YieldReaction ConditionsOperation in experiment
53% With toluene-4-sulfonic acid; for 5.0h;Heating / reflux; (7/?)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (WO2004076454; 200 mg,0.68 mmol), methyl 4-amino-3-methoxy-benzoate (123 mg, 0.68 mmol) andp-toluenesulfonic acid (323 mg, 1.70 mmol) were suspended in (2i?/5)-4-methyl-2-pentanol (1 mL) and heated at reflux for 5 h, allowing the MeOH evaporate during the reaction. The reaction mixture was cooled and loaded onto an SCX-2 column and washed with MeOH (40 mL). The crude product was then eluted from the SCX-2 column with NH3(40 mL, 7M in MeOH) and the volatiles removed under reduced pressure. Purification by column chromatography (SiO2, eluent gradient 0-100% EtOAc in /s°-hexane) afforded the title compound (185 mg, 53%) as a gum. 1H NMR (400 MHz, DMSO-d6) deltaH 0.77 (t, 3H), 0.91 (dd, 6H), 1.29 (d, 3H), 1.37 - 1.48 (m, IH), 1.55 - 2.08 (m, 12H), 3.30 (s, 3H), 3.95 (s, 3H), 4.25 (dd, IH), 4.37 (quintet, IH), 5.09 - 5.17 (m, IH), 7.49 (d, IH), 7.58 (dd, IH), 7.71 (s, IH), 7.86 (s, IH), 8.51 (dt, IH); MS m/z 510 [M+H]+.
  • 3
  • [ 41608-64-4 ]
  • [ 211915-84-3 ]
  • 4
  • [ 755039-55-5 ]
  • [ 41608-64-4 ]
  • C23H29N5O4 [ No CAS ]
 

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