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[ CAS No. 53145-38-3 ]

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Chemical Structure| 53145-38-3
Chemical Structure| 53145-38-3
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CAS No. :53145-38-3 MDL No. :MFCD01631573
Formula : C7H6ClFO Boiling Point : 186.4°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :160.57 g/mol Pubchem ID :2773581
Synonyms :

Safety of [ 53145-38-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H227-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 53145-38-3 ]

  • Upstream synthesis route of [ 53145-38-3 ]
  • Downstream synthetic route of [ 53145-38-3 ]

[ 53145-38-3 ] Synthesis Path-Upstream   1~4

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  • [ 53145-38-3 ]
  • [ 2040-90-6 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1974, vol. 10, p. 1237 - 1238[2] Zhurnal Organicheskoi Khimii, 1974, vol. 10, # 6, p. 1228 - 1230
[3] Patent: US2004/82590, 2004, A1, . Location in patent: Page/Page column 38
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  • [ 2040-90-6 ]
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YieldReaction ConditionsOperation in experiment
94% With potassium carbonate In tetrahydrofuran at 20℃; for 3 h; Methyl iodide (850μl, 13.646mmol) and potassium carbonate (943mg, 6.824mmol) were added to 2-chloro-6-fluorophenol (1.0g, 6.824mmol) in tetrahydrofuran (10ml) and the mixture was stirred at room temperature for 3 hours. The reaction mixture was partitioned between diethyl ether (50ml) and water (50ml). The organic phase was extracted and further washed with water (2 x 20ml) then dried over sodium sulphate and concentrated in vacuo to afford the title compound as a colourless liquid in 94percent yield, 1.03g.1HNMR(400MHz, CD3OD) δ: 3.90-3.91(s, 3H), 7.01-7.12(m, 2H), 7.18-7.21 (m, 1H)
Reference: [1] Patent: WO2007/34325, 2007, A1, . Location in patent: Page/Page column 47
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YieldReaction ConditionsOperation in experiment
26 g
Stage #1: With hydrogenchloride In water at 50℃; for 0.5 h;
Stage #2: With sodium nitrite In water at 0℃; for 2 h;
Stage #3: With tetrafluoroboric acid In water for 1 h;
To a four-necked flask was added 30 g (0.19 mol) of 3-chloroanisidine,30 g (1.67 mol) of water was added and the temperature was raised to 50 ° C,A solution of 36percent HC1231 g (2.28 mol)After incubation for 0.5 h,The temperature was lowered to 0 ° C, and 30percent NaN0244 was slowly added dropwise.Diazotization reaction,Upon completion of the addition,After 2h incubation,Remove the filter cake. 69.5 g (0.38 mol) of 48percent HBF4 solution was added dropwise to the filtrate,To carry out condensation reaction,Insulation lh later.The solution was filtered,The solids were dried for dehydration.The dried fluoroborate,Slowly heated to 130 ° C for cracking reaction,Until no gas is produced.After the cracking of the solution for distillation,The 2,6-CFA fraction was collected to give 26 g of the title compound. Purity> 98.5percent,The yield of 3 steps was 85percent (from 2,3-dichloronitrobenzene to the final target compound,The overall yield was 69.4percent).
Reference: [1] Patent: CN103787846, 2016, B, . Location in patent: Paragraph 0042; 0044
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  • [ 3209-22-1 ]
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Reference: [1] Patent: CN103787846, 2016, B,
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