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[ CAS No. 850879-09-3 ] {[proInfo.proName]}

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Chemical Structure| 850879-09-3
Chemical Structure| 850879-09-3
Structure of 850879-09-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 850879-09-3 ]

CAS No. :850879-09-3 MDL No. :MFCD16038298
Formula : C23H21N5O3S Boiling Point : -
Linear Structure Formula :- InChI Key :FOFDIMHVKGYHRU-UHFFFAOYSA-N
M.W : 447.51 Pubchem ID :11282283
Synonyms :
MP470;HPK 56

Safety of [ 850879-09-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 850879-09-3 ]

* 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.

  • Upstream synthesis route of [ 850879-09-3 ]
  • Downstream synthetic route of [ 850879-09-3 ]

[ 850879-09-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 380339-27-5 ]
  • [ 1015482-56-0 ]
  • [ 850879-09-3 ]
YieldReaction ConditionsOperation in experiment
37% With pyridine In dichloromethane EXAMPLE 21 4-Benzo[4,5]furo[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid (benzof1, 31dioxol-5-ylmethvl)-amide (3) To a solution of 4-piperazinobenzofurano [3,2-d] pyrimidine (200 mg, 0.79 mmol) and pyridine (0.5 mL, 7.9 mmol) in dichloromethane (20 mL) was added a solution of product 1c in dichloromethane (20mL) and this was stirred overnight. Methanol was added to quench excess thiophosgene, and the residue after removal of solvent was purified by silica gel column chromatography eluting with 5percent methanol/dichloromethane and further recrystallized from dichloromethane/hexane to give 150 mg (37percent). HNMR (CDCl3, 300MHZ) a 4.09 (s, 4H), 4.27 (s, 4H), 4.82 (d, J = 4.7Hz, 2H), 5.99 (s, 2H), 6.77-6. 79 (m, 1 H), 6.80-6. 83 (m, 1H), 6.89 (s, 1 H), 7.47-7. 52 (m, 1 H), 7.61-7. 65 (m, 1 H), 7.66-7. 70 (m, 1 H), 8.33 (d, J = 7. 0Hz, 1 H). FAB HRMS [M+H] + calcd for C23H21N503S : 447.1365 ; found 448. 1443. Combustion Analysis: C23H21N5O3S Requires C 61.73percent, H 4.73percent, N 15.65percent, O 10.73percent, S 7.17percent ; Found C 61. 95percent, H 4.99percent, N 15.93percent, 0 11. 13percent, S 7. 55percent.
Reference: [1] Patent: WO2005/37825, 2005, A2, . Location in patent: Page/Page column 62-63
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