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[ CAS No. 1039736-73-6 ] {[proInfo.proName]}

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Chemical Structure| 1039736-73-6
Chemical Structure| 1039736-73-6
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Product Details of [ 1039736-73-6 ]

CAS No. :1039736-73-6 MDL No. :MFCD27997107
Formula : C9H5Cl2FN2 Boiling Point : -
Linear Structure Formula :- InChI Key :CHQBEAJNSPBLHL-UHFFFAOYSA-N
M.W : 231.05 Pubchem ID :59615366
Synonyms :

Safety of [ 1039736-73-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1039736-73-6 ]

* 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.

  • Downstream synthetic route of [ 1039736-73-6 ]

[ 1039736-73-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1169787-74-9 ]
  • [ 1039736-73-6 ]
YieldReaction ConditionsOperation in experiment
With N,N-dimethyl-aniline; trichlorophosphate; for 12.0h;Reflux; Second Step A mixture of the product (1.5 g) of the first step, N,N-dimethylaniline (5 mL) and phosphoryl chloride (25 mL) was refluxed for 12 hours. After cooling to room temperature, the solvent was distilled off under reduced pressure. The residue was added to ice water, followed by extraction with ethyl acetate. The resulting organic layer was dried over an anhydrous sodium sulfate and the solvent was distilled off under reduced pressure, and then the residue was purified by silica gel chromatography (ethyl acetate:hexane= 1:9) to obtain 0.55 g of 2,4-dichloro-7-fluoro-8-methylquinazoline. [Show Image] 1H -NMR (400 MHz, CDCl3) d (ppm) : 2.62 (s, 3H), 7.44 (t, 1H, J = 8.8 Hz), 8.12 (dd, 1H, J = 5.8, 9.0 Hz); ESI-MS (m/z): 230 [M+H]+.
  • 2
  • [ 1039736-73-6 ]
  • [ 1169787-72-7 ]
YieldReaction ConditionsOperation in experiment
With ammonia; zinc; In dichloromethane; water; for 6.0h;Reflux; Third Step To a two-phase solution of a dichloromethane solution (21 mL) of the product (0.50 g, 2.17 mmol) of the second step and an aqueous 9% ammonia-containing saturated brine solution (14 mL), a zinc powder (0.92g ) was added, followed by reflux for 6 hours. The reaction mixture was filtered through cerite, and the filtrate was washed in turn with dilute hydrochloric acid (10%) and a saturated brine solution and then dried over anhydrous sodium sulfate. The solvent was distilled off under reduced pressure and the residue was purified by silica gel chromatography (ethyl acetate:hexane = 1:4) to obtain 0.187 g of 2-chloro-7-fluoro-8-methylquinazoline as a colorless powder. [Show Image] 1H-NMR (400 MHz, CDCl3) d (ppm): 2.62 (s, 3H), 7.41 (t, 1H, J = 8.9 Hz), 8.06 (dd, 1H, J = 5.5, 8.6 Hz), 9.21 (s, 1H); ESI-MS (m/z): 197 [M+H]+.
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