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[ CAS No. 861106-66-3 ] {[proInfo.proName]}

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Chemical Structure| 861106-66-3
Chemical Structure| 861106-66-3
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Product Details of [ 861106-66-3 ]

CAS No. :861106-66-3 MDL No. :MFCD27930245
Formula : C9H9BrN2O Boiling Point : -
Linear Structure Formula :- InChI Key :SZMUQIIVLVKCCL-UHFFFAOYSA-N
M.W : 241.08 Pubchem ID :18444524
Synonyms :

Safety of [ 861106-66-3 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 861106-66-3 ]

* 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 [ 861106-66-3 ]

[ 861106-66-3 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 861106-65-2 ]
  • [ 32315-10-9 ]
  • [ 861106-66-3 ]
YieldReaction ConditionsOperation in experiment
50% With triethylamine In dichloromethane at 0 - 20℃; 3.4 To a solution of 3-bromo-2-methylaminomethyl-phenylamine (1.153 g, 5.36 mmol) in CH2Cl2 (50 ml) was added NEt3 (1.5 ml, 10.76 mmol), triphosgen (555 mg, 1.87 mmol) at 0OC. The reaction was allowed to warm up to room temperature and stirred overnight. After the solvent was removed by using a rotary evaporator, the residue was partitioned between water and ethyl acetate. The organic layer was washed by H20 and brine. After drying over MgS04, the organic fraction was concentrated in vacuo and resulting brown residue was purified by flash chromatography to give 5- bromo-3-methyl-3, 4-dihydro-lH-quinazolin-2-one as white solid. (650 mg, 50%) MS: (M+H) + 241. 1.
  • 2
  • [ 861106-66-3 ]
  • [ 456-41-7 ]
  • [ 861106-67-4 ]
YieldReaction ConditionsOperation in experiment
81% Stage #1: 5-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one With sodium hydride In DMF (N,N-dimethyl-formamide) at 0℃; for 0.333333h; Stage #2: 1-(Bromomethyl)-3-fluorobenzene at 0℃; for 1h; 3.5 To a solution of 5-bromo-3-methyl-3, 4-dihydro-lH-quinazolin-2-one (132 mg, 0.55 mmol) in 5ml anhydrous dimethylformanide was added sodium hydride (33 mg of a 60% suspension in mineral oil, 0.83 mmol) portionwise at 0 C. The solution was stirred with a magnetic stirrer at 0 C for 20 minutes, at which time the initial offgassing ended. 3-Fluorobenzyl bromide (0. 08 ml, 0.65 mmol) was added in one portion and the reaction mixture was stirred at 0 C for an hour. The solution was allowed to warm to room temperature and the reaction mixture was partitioned between water and ethyl acetate. The aqueous layer was extracted with ethyl acetate and the combined organic fractions were washed with water and brine. After drying over MgS04, the organic fraction was concentrated in vacuo and resulting residue was purified by flash chromatography to give 156 mg of 5-bromo-1-(3-fluoro-benzyl)-3-methyl-3, 4-dihydro-lH-quinazolin-2-one as a yellow solid (81%). MS: 349.1 (M+H) +.
  • 3
  • [ 861106-66-3 ]
  • 1-methyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • 5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methyl-3,4-dihydroquinazolin-2(1H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
4% With dichloro[1,3-bis(2,6-di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II); sodium t-butanolate In 1,4-dioxane at 150℃; for 4h; Microwave irradiation; 116.5 Step 5: To a solution of 5-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one (100 mg,0.32mmol)in 1,4-dioxane (2 mL)was added 7-(difluoromethyl)-6-(1-methyl-IH-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (Intermediate C,84 mg,0.32 mmol),t-BuONa (92 mg,0.95 mmol)20 and dichloro[1,3 -bis(2,6-di -3 -pentyl phenyl )imidazol-2-ylidene ](3 -chloropyridyl )palladium(II)(25 mg,0.03 mmol). The mixture was irradiated in a microwave at 150 oc for 4 h. The mixturewas filtered and concentrated in vacuo. The crude residue was purified by reverse phasechromatography (acetonitrile 38-68% I 0.2% formic acid in water)give the title compound (5mg,4%)as a white solid. 1H NMR (400 MHz,CDCl3)8 7.47 (s,IH),7.34 (s,IH),7.16 (s,IH),25 7.00 (s,IH),6.77 (d,J = 8.0 Hz,IH),6.61 (s,IH),6.54- 6.25 (m,3H),4.22 (s,2H),3.88 (s,3H),2.91-2.86 (m,2H),2.88 (s,3H),2.06-2.03 (m,2H),1.52- 1.49 (m,2H). LCMS M/Z(M+H)424.
  • 4
  • [ 58579-54-7 ]
  • [ 861106-66-3 ]
  • 5
  • 1-(2-bromo-6-nitrophenyl)-N-methylmethanamine [ No CAS ]
  • [ 861106-66-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: iron; acetic acid / 2 h / 20 °C 2: dichloromethane / 12 h / 20 °C
  • 6
  • [ 861106-65-2 ]
  • [ 530-62-1 ]
  • [ 861106-66-3 ]
YieldReaction ConditionsOperation in experiment
51% In dichloromethane at 20℃; for 12h; 116.4 Step 4 To a solution of3-bromo-2-((methylamino)methyl)aniline (700 mg,3.25 mmol)in DCM(10 mL)was added di(IH-imidazol-1-yl)methanone (792 mg,4.88 mmol). The reaction mixturewas stirred at room temperature for 12 h. DCM (20 mL)was added and washed with water (20mL x 2),brine (20 mL),dried over anhydrous Na2S04,filtered and concentrated in vacuo. Thecrude residue was purified by silica gel column chromatography (petroleum ether/EtOAc = 4: 1)10 to give the title compound (400 mg,51%)as a yellow solid. 1H NMR (400 MHz,CDCl3)8 7.12(d,J = 8.0 Hz,IH),7.04- 6.99 (m,IH),6.65 (d,J = 7.2 Hz,IH),4.47 (s,2H),3.06 (s,3H).
  • 7
  • [ 55289-35-5 ]
  • [ 861106-66-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 12 h / 80 °C 2: tetrahydrofuran / 12 h / 20 °C 3: iron; acetic acid / 2 h / 20 °C 4: dichloromethane / 12 h / 20 °C
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