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[ CAS No. 28988-21-8 ]

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2D
Chemical Structure| 28988-21-8
Chemical Structure| 28988-21-8
Structure of 28988-21-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 28988-21-8 ]

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SDS

Product Details of [ 28988-21-8 ]

CAS No. :28988-21-8MDL No. :MFCD11869739
Formula :C7H4BrNSBoiling Point :299.8°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :214.08Pubchem ID :289926
Synonyms :

Computed Properties of [ 28988-21-8 ]

TPSA : 41.1 H-Bond Acceptor Count : 2
XLogP3 : 2.9 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 28988-21-8 ]

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

Application In Synthesis of [ 28988-21-8 ]

  • Upstream synthesis route of [ 28988-21-8 ]
  • Downstream synthetic route of [ 28988-21-8 ]

[ 28988-21-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 272-23-1 ]
  • [ 28988-21-8 ]
YieldReaction ConditionsOperation in experiment
48% With dipotassium hydrogenphosphate; bromine; sodium hydrogencarbonate; magnesium sulfate In chloroformHeating / reflux 2.30 g of Thieno[2,3-b]pyridine (17 mmol), 1.43 g Of NaHCO3 (17 mmol), 4.44 g of K2HPO4 (25.5 mmol) and 2.66 g of MgSO4 (22.1 mmol) are placed into the flask with 80 ml of dichloromethane. The reaction mixture is stirred under reflux. 1.05 ml of bromine (20.4 mmol) is added slowly to the mixture and is stirred overnight. CH2Cl2 and water are added to the cooled reaction mixture and separated. The CH2Cl2 layer is dried over Na2SO4 and evaporated. The crude product is applied onto a silica-gel chromatography column (Hexane: AcOEt=3:l) to give 1.76 g of the title compound. Yield 48percent. mass spectrum (m/e):215(M+l); IH-NMR(CDCl3): 8.67(m, IH), 8.13(m, IH), 7.59(s, IH), 7.45(m, IH) ppm.
Reference: [1] Patent: WO2006/107784, 2006, A1. Location in patent: Page/Page column 94
[2] Journal of Heterocyclic Chemistry, 1974, vol. 11, p. 205 - 209
[3] Patent: WO2011/79804, 2011, A1. Location in patent: Page/Page column 33
[4] Patent: US2012/245178, 2012, A1. Location in patent: Page/Page column 19
[5] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7577 - 7589
Historical Records

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