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[ CAS No. 1004294-79-4 ]

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2D
Chemical Structure| 1004294-79-4
Chemical Structure| 1004294-79-4
Structure of 1004294-79-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1004294-79-4 ]

Related Doc. of [ 1004294-79-4 ]

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Alternatived Products of [ 1004294-79-4 ]
Alternatived Products of [ 1004294-79-4 ]

Product Details of [ 1004294-79-4 ]

CAS No. :1004294-79-4MDL No. :MFCD12546597
Formula : C14H19BO5 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :278.11Pubchem ID :-
Synonyms :

Computed Properties of [ 1004294-79-4 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1004294-79-4 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1004294-79-4 ]

  • Downstream synthetic route of [ 1004294-79-4 ]

[ 1004294-79-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 41731-23-1 ]
  • [ 1004294-79-4 ]
  • methyl 3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
40% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In tetrahydrofuran; water; at 90℃; for 17h;Inert atmosphere; Intermediate 2 (1.0 g, 3.60 mmo[) and 2-bromo-5-methy[-1,3-thiazo[e (0.451 mL, 4.32 mmo[) were dissolved in 1M K2C03 aqueous solution (8.63 mL) and THF (58.7 mL). The solution was degassed with a stream of nitrogen for 10 minutes, [1,1- Bis(diphenylphosphino)ferrocene] palladium(II) dichloride (395.3 mg, 0.539 mmol)was added and the reaction mixture heated at 90 C for 17 h until reaction completion (monitored by TLC). The reaction mixture was diluted with water (100 mL) and extracted with EtOAc (3 x 100 mL). The combined organics were dried (over MgSO4) and concentrated under reduced pressure. Crude material was purified by Biotage IsoleraTM chromatography (eluting with 12 - 80 % EtOAc inheptane on a 25 g pre-packed KP-Si02 column) to give 359.7 mg (40% yield) of the title compound as an off-white powder.1H NMR (250 MHz, Chloroform-d): 6 [ppm] 8.06 (t, J = 1.4 Hz, 1H), 7.67 - 7.62 (m,1H), 7.54 (dd, J = 2.5, 1.4 Hz, 1H), 7.52 (d, J = 1.1 Hz, 1H), 5.84 (5, 2H), 3.93 (5,3H), 2.53 (d, J = 1.1 Hz, 3H).
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