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Chemical Structure| 51837-85-5 Chemical Structure| 51837-85-5

Structure of 51837-85-5

Chemical Structure| 51837-85-5

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Product Details of [ 51837-85-5 ]

CAS No. :51837-85-5
Formula : C11H12N2O2S
M.W : 236.29
SMILES Code : NC1=NC(C2=CC=C(OC)C(OC)=C2)=CS1
MDL No. :MFCD01088726
InChI Key :QNLNRENPKAQTMJ-UHFFFAOYSA-N
Pubchem ID :332397

Safety of [ 51837-85-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H318
Precautionary Statements:P264-P270-P280-P301+P312-P305+P351+P338-P310-P330-P501

Application In Synthesis of [ 51837-85-5 ]

* 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 [ 51837-85-5 ]

[ 51837-85-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6624-49-3 ]
  • [ 51837-85-5 ]
  • [ 1266676-95-2 ]
  • 2
  • [ 6624-49-3 ]
  • [ 51837-85-5 ]
  • isoquinoline-3-carboxylic acid [4-(3,4-dimethoxyphenyl)-thiazol-2-yl]amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With triethylamine; HATU; In tetrahydrofuran; at 60℃; for 3h; A solution of 70 (30 mg, 0.13 mmol, leq) and triethylamine (0.65 mmol, 5 eq.) in THF (2 mL) was added to a solution of commercially available <strong>[6624-49-3]isoquinoline-3-carboxylic acid</strong> (22 mg, 0.13 mmol) and HATU (50 mg, 0.13 mmol) in THF (2 mL). The reaction was stirred for 3h at 60°C, then cooled to room temperature and poured into water-ice. The product was extracted with EtOAc, dried (MgS04), filtered and concentrated. The crude product was purified by column chromatography on silica gel (ethyl acetate-hexanes) to afford the product as a white powder in 39percent yield; mp 228-230 °C. XH NMR (400 MHz, DMSO-i¾) delta 11.99 (s, 2H), 9.51 (s, 1H), 8.77 (s, 1H), 8.34 (d, J= 7.33 Hz, 1H), 8.29 (d, J= 8.06 Hz, 1H), 7.87 - 7.99 (m, 2H), 7.66 (s, 1H), 7.56 (d, J= 2.01 Hz, 1H), 7.53 (dd, J= 1.92, 8.33 Hz, 1H), 7.03 (d, J= 8.42 Hz, 1H), 3.85 (s, 3H), 3.80 (s, 3H); LCMS (ESI) m/z 392 (MH+)
 

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