[ CAS No. 39846-84-9 ]

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2D
Chemical Structure| 39846-84-9
Chemical Structure| 39846-84-9
Structure of 39846-84-9

Quality Control of [ 39846-84-9 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 39846-84-9 ]

SDS

Product Details of [ 39846-84-9 ]

CAS No. :39846-84-9MDL No. :MFCD04971172
Formula :C6H7N3O4Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :185.14Pubchem ID :86222906
Synonyms :

Computed Properties of [ 39846-84-9 ]

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

Safety of [ 39846-84-9 ]

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 [ 39846-84-9 ]

  • Upstream synthesis route of [ 39846-84-9 ]

[ 39846-84-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 64-17-5 ]
  • [ 39846-84-9 ]
YieldReaction ConditionsOperation in experiment
88% Heating / reflux To a solution of 5-Nitro-lH-pyrazole-3-carboxylic acid (5.000 g, 31.84 mmol) in absolute ethanol (50 cm3) at room temperature under argon was added acetyl chloride (5.05mL, 5.55g, 70.1 mmol) dropwise over 2 minutes. The resulting solution was heated to reflux overnight. Solvent was removed under reduced pressure and the resulting solid dissolved in ethyl acetate (100 cm3) and washed with aqueous saturated NaHCO3 until neutral, brine, dried (anhydrous Na2SO4), filtered, and solvent removed under reduced pressure to give a yellow solid (5.2Og, 88percent). 1H(CD3OD): 7.4 (s, IH), 4.4 (q, 2H, J=7.1, CO2CH2CH3), 1.4 (t, 3H, J=7.1,CO2CH2CH3). m/z (ES+): 186 [M+H]+
Reference: [1] Patent: WO2006/127595, 2006, A1. Location in patent: Page/Page column 62
[2] Patent: WO2006/126695, 2006, A1. Location in patent: Page/Page column 246
[3] Patent: US2009/36450, 2009, A1. Location in patent: Page/Page column 21
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