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Chemical Structure| 1039736-73-6 Chemical Structure| 1039736-73-6

Structure of 1039736-73-6

Chemical Structure| 1039736-73-6

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Product Details of [ 1039736-73-6 ]

CAS No. :1039736-73-6
Formula : C9H5Cl2FN2
M.W : 231.05
SMILES Code : CC1=C(F)C=CC2=C(Cl)N=C(Cl)N=C12
MDL No. :MFCD27997107
InChI Key :CHQBEAJNSPBLHL-UHFFFAOYSA-N
Pubchem ID :59615366

Safety of [ 1039736-73-6 ]

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

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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