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[ CAS No. 679406-03-2 ] {[proInfo.proName]}

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Chemical Structure| 679406-03-2
Chemical Structure| 679406-03-2
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Product Details of [ 679406-03-2 ]

CAS No. :679406-03-2 MDL No. :MFCD11521570
Formula : C7H6Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :MOWPWJUYSRHMHS-UHFFFAOYSA-N
M.W : 221.04 Pubchem ID :53428795
Synonyms :

Safety of [ 679406-03-2 ]

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 [ 679406-03-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 679406-03-2 ]
  • Downstream synthetic route of [ 679406-03-2 ]

[ 679406-03-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1352925-63-3 ]
  • [ 679406-03-2 ]
YieldReaction ConditionsOperation in experiment
3.64 g at 100℃; for 3.5 h; Sealed tube; Inert atmosphere; Schlenk technique Step 3[00162j To a 350 mL nitrogen purged Schlenk flask containing Int2 (3.77 g, 20.47 mmol) was added phosphorus oxychloride (38 mL, 408 mmol). The vessel was sealed and heated to 100 °C for 3.5 hours. The reaction was cooled to room temperature and the excess phosphorus oxychloride was removed in vacuo. The crude oil was dissolved into chloroform, re-concentrated and then poured into ice water, rinsing with ethyl acetate.The two layers were transferred to a separatory funnel, separated and the aqueous layer extracted 3x with ethyl acetate. The combined organic layers were washed twice with water and once with brine (saturated aqueous sodium chloride) and then dried over sodium sulfate, filtered, concentrated and then purified by automated chromatography (5- 90percent EtOAc:hexanes), providing Int3 (3.64 g, 16.3 mmol). ‘H NMR (400MHz, chloroform-d) ö 7.70 (s, 1H), 4.55 (qd, J=7.1, 1.1 Hz, 2H), 1.46 (td, J=7.2, 0.9 Hz, 3H). LC retention time 0.79 [J]. MS(E) m/z: 221 (MHj.
3.27 g at 95℃; for 5 h; [0177j A mixture 5-5 (3.38 g, 18.3 mmol) in POC13 (35 ml) was heated at 95 °C for 5 hr.The excess POC13 was removed under vacuum, to the residue ice was added followed byethyl acetate. The organic phase was separated, washed with 5percent NaHCO3, dried over Na2SO4, and concentrated to give compound 5-6 as an oil (3.27 g)
Reference: [1] Patent: WO2014/74661, 2014, A1, . Location in patent: Paragraph 00162
[2] Patent: WO2015/123453, 2015, A1, . Location in patent: Paragraph 0177
[3] Patent: US2004/77653, 2004, A1, . Location in patent: Page 18
[4] Patent: WO2018/183649, 2018, A1, . Location in patent: Page/Page column 18
  • 2
  • [ 105-50-0 ]
  • [ 679406-03-2 ]
Reference: [1] Patent: WO2014/74661, 2014, A1,
[2] Patent: WO2015/123453, 2015, A1,
[3] Patent: US2004/77653, 2004, A1,
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