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[ CAS No. 1214385-51-9 ]

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2D
Chemical Structure| 1214385-51-9
Chemical Structure| 1214385-51-9
Structure of 1214385-51-9 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1214385-51-9 ]

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Related Doc. of [ 1214385-51-9 ]

SDS

Product Details of [ 1214385-51-9 ]

CAS No. :1214385-51-9MDL No. :MFCD13185807
Formula :C6H4BrNO3Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :218.00Pubchem ID :66570682
Synonyms :

Computed Properties of [ 1214385-51-9 ]

TPSA : 66.4 H-Bond Acceptor Count : 3
XLogP3 : 0.8 H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 1214385-51-9 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1214385-51-9 ]

  • Upstream synthesis route of [ 1214385-51-9 ]
  • Downstream synthetic route of [ 1214385-51-9 ]

[ 1214385-51-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 19621-92-2 ]
  • [ 1214385-51-9 ]
YieldReaction ConditionsOperation in experiment
99% at 80℃; for 16.00 h; Bromine (115 g, 720 mmol) was added drop-wise to a suspension of 6-oxo-1,6-dihydropyridine-2-carboxylic acid (25 g, 180 mmol) in acetic acid (400 mL). The reaction mixture was heated to 80° C. for 16 hours, whereupon it was concentrated to dryness under reduced pressure. The residue was triturated with tert-butyl methyl ether (200 mL) and filtered; the filter cake was washed with tert-butyl methyl ether (3×100 mL) to provide the product as a gray solid. Yield: 39.0 g, 179 mmol, 99percent. 1H NMR (400 MHz, DMSO-d6) δ 8.03 (d, J=7.3 Hz, 1H), 6.83 (d, J=7.3 Hz, 1H).
Reference: [1] Patent: US2016/222007, 2016, A1. Location in patent: Paragraph 0354; 0355
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