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Structure of 946198-89-6

Chemical Structure| 946198-89-6

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Product Details of [ 946198-89-6 ]

CAS No. :946198-89-6
Formula : C14H16ClN3O2S
M.W : 325.81
SMILES Code : O=C(N(C1)CCC2=C1SC3=NC=NC(Cl)=C32)OC(C)(C)C
MDL No. :MFCD09754437
InChI Key :GIBDUINSURSICA-UHFFFAOYSA-N
Pubchem ID :49788563

Safety of [ 946198-89-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 946198-89-6 ]

* 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 [ 946198-89-6 ]

[ 946198-89-6 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 56354-98-4 ]
  • [ 946198-89-6 ]
  • tert-butyl 4-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 100℃; for 16h; Example 3 tert-Butyl 4-[(2-oxo-2,3-dihydro-1 ,3-benzothiazol-6-yl)amino]-5,8- dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate A mixture comprising 100 mg (307 muetaetaomicronIota) tert-butyl 4-chloro-5,8- dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(6H)-carboxylate (prepared according to WO2009/33581 ), 51 mg 6-amino-1 ,3-benzothiazol-2(3H)-one(CAS-No: 56354-98-4), 2 ml_ dimethyl sulfoxide and 160 muIota_ N-ethyl-N-isopropylpropan-2-amine was heated at 100C for 16 hours. The crude product was purified by chromatography and crystallisation to give 40.5 mg (36%) of the title compound. 1 H-NMR (DMSO-d6): delta = 1.45 (9H), 3.20 (2H), 3.69 (2H), 4.68 (2H), 7.1 1 (1 H), 7.47 (1 H), 7.84 (1 H), 8.25 (1 H), 8.38 (1 H), 1 1.87 (1 H) ppm.
  • 3
  • [ 946198-89-6 ]
  • [ 340-06-7 ]
  • tert-butyl (S)-4-(2,2,2-trifluoro-1-phenylethoxy)-5,8-dihydropyrido[4’,3’:4,5]thieno[2,3-d]pyrimidine-7-(6H)carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
95.4% In ethanol; at 100℃;Reflux; Compound 4 (1.77 mmol), together with corresponding amine or alcohol, was heated and refluxed in alcohol (40 mE) overnight at 1000 C. The solvent after reaction was evaporated to dryness, and the residue was purified by column chromatography .Compound 4 and (S)-(+)-1-phenyl-2,2,2-trifluo- roethanol were heated and refluxed in ethanol, and thereby Compound Sc was obtained. Yield 137 mg (95.4%), ‘H NMR (400 MHz, CDC13) ö8.49 (1H, s), 7.59-7.38 (SH, m), 6.84 (1H, q, J=6.8 Hz), 4.78-4.64 (2H, m), 3.94-3.76 (2H, m), 3.21 (2H, br), 1.52 (9H, s)
 

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Related Functional Groups of
[ 946198-89-6 ]

Chlorides

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Related Parent Nucleus of
[ 946198-89-6 ]

Other Aromatic Heterocycles

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A551777 [874801-57-7]

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