[ CAS No. 7321-93-9 ]

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2D
Chemical Structure| 7321-93-9
Chemical Structure| 7321-93-9
Structure of 7321-93-9

Quality Control of [ 7321-93-9 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 7321-93-9 ]

SDS

Product Details of [ 7321-93-9 ]

CAS No. :7321-93-9MDL No. :MFCD00234054
Formula :C5H4Cl2N2Boiling Point :290.8°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :163.01Pubchem ID :595729
Synonyms :

Computed Properties of [ 7321-93-9 ]

TPSA : 38.9 H-Bond Acceptor Count : 2
XLogP3 : 1.8 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 7321-93-9 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305 P351 P338UN#:N/A
Hazard Statements:H302 H312 H332-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 7321-93-9 ]

  • Upstream synthesis route of [ 7321-93-9 ]
  • Downstream synthetic route of [ 7321-93-9 ]

[ 7321-93-9 ] Synthesis Path-Upstream   1~6

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YieldReaction ConditionsOperation in experiment
73% With sodium hydroxide; water; bromine In 1,4-dioxane at 0 - 25℃; for 18.00 h; NaOH (6.60 g, 165 mmol) was dissolved in H2O (31 mL) and cooled in an ice bath.
Bromine (2.08 mL, 40.6 mmol) was added dropwise and the yellow solution was stirred for 15 min. 4,6-Dichloro-nicotinamide (7.27 g, 38.1 mmol) in 1,4-dioxane (21 mL) was added dropwise to the bromine solution over 30 min.
The reaction was allowed to warm slowly to 25° C. over 18 h.
The volatiles were removed in vacuo and the resultant solution was diluted with brine and poured into EtOAc.
The aqueous phase was separated and extracted twice with EtOAc.
The organic layers were combined, dried (Na2SO4), decanted and concentrated to afford an orange oil.
The resultant oil was purified on a 100 g SiO2 flash chromatography cartridge with 25 percent EtOAc-hexanes to afford 4,6-dichloro-pyridin-3-ylamine as a tan solid (4.54 g, 73percent).
30percent Aqueous H2O2 solution (29 mL) was cooled in an ice bath.
Reference: [1] Patent: US2006/217417, 2006, A1. Location in patent: Page/Page column 13
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Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690
[2] Patent: WO2015/103355, 2015, A1
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Reference: [1] Patent: WO2015/103355, 2015, A1
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  • [ 166526-03-0 ]
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Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690
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  • [ 40296-46-6 ]
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Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690
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  • [ 6975-44-6 ]
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Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1950, vol. 69, p. 673,690
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