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[ CAS No. 1204298-65-6 ]

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CAS No. 1204298-65-6, is a pyrazoles compound, with a molecular weight of 176.12, molecular formula C6H6F2N2O2, Ambeed provides reports for batches of (such as NMR, HPLC/GC).

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Chemical Structure| 1204298-65-6
Chemical Structure| 1204298-65-6
Structure of 1204298-65-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1204298-65-6 ]

CAS No. :1204298-65-6 MDL No. :MFCD12827721
Formula : C6H6F2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :176.12 g/mol Pubchem ID :50989016
Synonyms :

Safety of [ 1204298-65-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1204298-65-6 ]

  • Upstream synthesis route of [ 1204298-65-6 ]
  • Downstream synthetic route of [ 1204298-65-6 ]

[ 1204298-65-6 ] Synthesis Path-Upstream   1~6

  • 1
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  • [ 1204298-65-6 ]
YieldReaction ConditionsOperation in experiment
67.1%
Stage #1: at -15 - -5℃; for 19.5 h;
Stage #2: With sodium hydroxide In ethanol; water at 50℃; for 7 h;
Stage #3: With hydrogenchloride In water
Zu einer Losung aus 2394 g (10.35 mol) ETHYL-2- (DIFLUORACETYL)-3-ETHOXYACRYLAT in 5.4 1 Ethanol tropft man bei-15oC bis-5oC innerhalb von 3.5 h eine Losung von 527.8 g (11.45 mol) Methyl- hydrazin in 0. 71 Ethanol und ruhrt fur 16 Stunden nach. Anschliesend gibt man 560 g (14 mol) Natri- umhydroxid und 3.5 1 Wasser zu und ruhrt 7 h bei 50oC. Das Reaktionsgemisch wird abgekuhlt und unter vermindertem Druck eingeengt. Der Ruckstand wird in 6 1 Wasser und 7 kg Eis aufgenommen und mit Dichlormethan gewaschen (einmal 3 1, einmal 2 1). Die eiskalte Wasserphase wird mit kon- zentrierter Salzsaure auf pH 2 eingestellt, das ausgefallene Produkt abgesaugt und im Vakuum- schrank getrocknet. Das Rohprodukt wird in 8 1 Isopropanol (heis) unter Ruckfluss gelost, anschlie- send abgekuhlt, 30 min bei 0oC bis 5oC geruhrt, abgesaugt, mit 1.4 1 Isopropanol (5oC) NACHGE- waschen und bei 40oC im Vakuumschrank getrocknet. Man erhalt 1226. 4 G (99. 8percent IG, 67. 1 percent der Theorie) an L-METHYL-5-DIFLUORMETHYL-PYRAZOL-4- carbonsaure [Log P (pH 2. 3) = 0.52].
Reference: [1] Patent: WO2005/3077, 2005, A1, . Location in patent: Page 13
  • 2
  • [ 53927-12-1 ]
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Reference: [1] Patent: US2010/184994, 2010, A1, . Location in patent: Page/Page column 9
  • 3
  • [ 851725-87-6 ]
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  • [ 1204298-65-6 ]
YieldReaction ConditionsOperation in experiment
117.6 g at 130 - 155℃; 200 g of ethyl 3-dichloromethyl-1H-methylpyrazole-4-carboxylate prepared according to Example 13 (GC purity: 92.8percent, 0.783 mol) and 69.50 gof1,3-dimethyl-2-imidazolidinone hexadecylHydrofluoric acid salts(0.160 mol) was put into a high-pressure reaction vessel, and the temperature was gradually raised to 130 ° C to 155 ° C.When the system temperature reaches 130 ~ 155 , to maintain the temperature,And kept at 130 ° C to 155 ° C for 7 to 12 hours.After the end of the reaction, the venting pressure, nitrogen purge, the exhaust gas is absorbed by the lye. Cooling to 60 ~ 80 , adding350 g of xylene and 60 g of water to dilute the reaction solution, slowly dropping 125.00 g of sodium hydroxide at a mass concentration of 30percentAqueous solution (the mass concentration refers to the mass of sodium hydroxide as a percentage of the total mass of the aqueous sodium hydroxide solution)After stirring at 70 ° C for 1 hour, the mixture was separated and the aqueous phase was acidified with a mass concentration of 36percent concentrated hydrochloric acid (said mass concentrationRefers to the mass of hydrogen chloride as a percentage of the total mass of concentrated hydrochloric acid) to pH = 1.0. Cooling to 10 ~ 25 , filtration, reallyDried to give 117.60 g of 3-difluoromethyl-1H-methylpyrazole-4-carboxylic acid (yield: 84.5percent, HPLC purity: 99.1percent;Isomer 5-difluoromethyl-1H-methylpyrazole-4-carboxylic acid HPLC purity: 0.05percent).
Reference: [1] Patent: CN106467492, 2017, A, . Location in patent: Paragraph 0224; 0225; 0226; 0227; 0228; 0229; 0230-0235
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  • [ 141573-95-7 ]
  • [ 176969-34-9 ]
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Reference: [1] Patent: JP5830957, 2015, B2, . Location in patent: Paragraph 0040
  • 5
  • [ 1086400-66-9 ]
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Reference: [1] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[2] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[3] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[4] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[5] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[6] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5-6
[7] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
[8] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5-6
[9] Patent: EP1997808, 2008, A1, . Location in patent: Page/Page column 5
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  • [ 1550-50-1 ]
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  • [ 60-34-4 ]
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Reference: [1] Patent: US2010/184994, 2010, A1, . Location in patent: Page/Page column 9
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