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[ CAS No. 7012-94-4 ] {[proInfo.proName]}

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Chemical Structure| 7012-94-4
Chemical Structure| 7012-94-4
Structure of 7012-94-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 7012-94-4 ]

CAS No. :7012-94-4 MDL No. :MFCD23099441
Formula : C14H9ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 256.69 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 7012-94-4 ]

* 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 [ 7012-94-4 ]

[ 7012-94-4 ] Synthesis Path-Downstream   1~7

  • 2
  • [ 5900-59-4 ]
  • [ 100-51-6 ]
  • [ 7012-94-4 ]
YieldReaction ConditionsOperation in experiment
89% With potassium hydroxide; In toluene; at 90℃; for 20h; General procedure: To an oven-dried 20 cm3 test tube with a ground-in stopperequipped with a stir bar were added anthranilamide (1.0 mmol), benzyl alcohol (1.0 mmol), KOH (2.0 mmol),and 4 cm3 toluene. The test tube was put in an oil bath potpreheated at 90 C and the mixture was stirred for 20 h at90 C. After cooling to room temperature, the reactionmixture was added about 5 g silica gel and directly condensedon a rotator under vacuum. The resulting residualwas transferred to a silica gel chromatography column andeluted with a solution of petroleum ether and ethyl acetate[4/1 (v/v)] to give a white solid 2-phenyl-4(3H)-quinazolinone.For some products (3f, 3g, 3n, and 3t) onlysparingly soluble in ethyl acetate, the reaction mixtureswere condensed in vacuo on a rotary evaporator. Theresiduals were washed three times with water and oncewith ethyl acetate, and then dried in an infrared oven togive the desired products pure enough for NMR analysis.
  • 3
  • [ 591-50-4 ]
  • [ 119072-55-8 ]
  • [ 5900-59-4 ]
  • [ 7012-94-4 ]
  • 4
  • [ 34662-32-3 ]
  • [ 2835-06-5 ]
  • [ 7012-94-4 ]
  • 5
  • [ 7012-94-4 ]
  • [ 138007-24-6 ]
  • tert-butyl 1-(4-oxo-2-phenyl-3,4-dihydroquinazolin-7-yl)piperidine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos; In 1,4-dioxane; at 90℃;Inert atmosphere; 7-chloro-2-phenylquinazolin-4 (3H) -one (1 g, 4.0 mmol) under nitrogen,Pd2dba3 (73 mg, 0.08 mmol), Xphos (152 mg, 0.32 mmol) and NaOtBu (769 mg, 8 mmol) were dissolved in 10 mL of dry dioxane followed by <strong>[138007-24-6]tert-butyl 4-piperidinecarboxylate</strong> (1.482 g, 8 mmol) TheThe reaction mixture was reacted at 90 CUnder stirring overnight.Quenched with saturated NH4Cl solution. The dioxane was removed under reduced pressure and diluted with water. The mixture was extracted three times with methylene chloride. The organic phase was concentrated and purified by silica gel column chromatography to give a yellow solid (164 mg, yield 80%).
  • 6
  • [ 892493-65-1 ]
  • [ 7012-94-4 ]
  • tert-butyl 1-(4-oxo-2-phenyl-3,4-dihydroquinazolin-7-yl)piperidine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With tris-(dibenzylideneacetone)dipalladium(0); (2?,4?,6?-triisopropylbiphenyl-2-yl)phosphine; sodium t-butanolate; In 1,4-dioxane; for 16h;Heating; To a solution of 2d (1 g, 4.0 mmol) in dioxane (15 mL), Pd2dba3(73 mg, 0.08 mmol), XPhos (152 mg, 0.32 mmol), NaOtBu (769 mg,8.0 mmol) and 4-piperidinecarboxylic acid t-butyl ester (1.15 g,5.2 mmol) were added subsequently. The mixture was heated at95 C overnight, then the solution was quenched with saturatedNH4Cl solution. The solvent was removed under reduced pressureand the residue was purified by flash chromatography (CH2Cl2/MeOH, V: V 50: 1) to afford compound 4 (737 mg, 48% yield). 1HNMR (400 MHz, DMSO-d6) delta: 12.15 (s, 1H), 8.16 (d, J = 7.2 Hz, 2H),7.93 (d, J = 8.8 Hz, 1H), 7.54 (d, J = 7.6 Hz, 3H), 7.17 (d, J = 8.4 Hz, 1H),7.02 (s, 1H), 3.92 (d, J = 12.8 Hz, 2H), 3.35 (s, 1H), 3.01 (t, J 11.4 Hz,2H), 1.88 (d, J = 11.6 Hz, 2H), 1.60 (d, J = 10.8 Hz, 2H), 1.41 (s, 9H). 13CNMR (101 MHz, DMSO-d6) delta: 173.93, 162.13, 155.23, 152.85, 151.04,133.42, 131.66, 129.00, 128.08, 127.41, 115.47, 111.60, 109.42, 80.15,46.97, 41.48, 28.18, 27.62 ppm. MS (ESI + APCI) m/z 406.2 [M+H]+.
  • 7
  • [ 5900-59-4 ]
  • [ 1663-61-2 ]
  • [ 7012-94-4 ]
YieldReaction ConditionsOperation in experiment
98% With acetic acid; In ethanol; at 110℃; for 24h;Inert atmosphere; Sealed tube; General procedure: The 2-aminobenzamide (1 equiv), the orthoester (2-3 equiv) and absolute ethanol (2-3 mL) wereplaced in a 15-mL Chemglass screw-cap pressure tube (No. CG-1880-01, Chemglass, Vineland, NJ,USA). Glacial acetic acid (3 equiv) was added, N2 was introduced to the vessel and the cap wastightened. The vessel was heated at 110 C for 12-72 h, then cooled and concentrated to give thequinazolinone, which was purified by crystallization from absolute ethanol or trituration from 5%ether in pentane. The following compounds were prepared:
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