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[ CAS No. 129968-11-2 ]

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Chemical Structure| 129968-11-2
Chemical Structure| 129968-11-2
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Product Details of [ 129968-11-2 ]

CAS No. :129968-11-2 MDL No. :MFCD10699672
Formula : C7H9BrClNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :238.51 g/mol Pubchem ID :-
Synonyms :

Safety of [ 129968-11-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 129968-11-2 ]

  • Downstream synthetic route of [ 129968-11-2 ]

[ 129968-11-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 41888-21-5 ]
  • [ 129968-11-2 ]
  • [ 91720-57-9 ]
YieldReaction ConditionsOperation in experiment
1) diazotation, 2) glac.HOAc, pH 3-4, 0-2 deg C, 5 h; Yield given. Multistep reaction;
  • 2
  • [ 5344-78-5 ]
  • [ 129968-11-2 ]
YieldReaction ConditionsOperation in experiment
78% With hydrogenchloride; iron In ethanol; water for 2h; Heating;
27% Stage #1: 4-bromo-3-nitroanizole With iron(III) acetylacetonate; 1,1,3,3-Tetramethyldisiloxane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Sealed tube; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 0.0833333h; 4.1. General General procedure: In a solution of nitro compound (2 mmol) in 0.6 mL of THF were added Fe(acac)3 (10 mmol %, 70 mg) and TMDS (1.5 equiv or three Si-H, 0.53 mL). After 24 h (unless otherwise indicated) under heating the reaction mixture was diluted in a minimum of Et2O with a constant stirring. HCl (2 equiv) in Et2O was then added dropwise. A precipitate appears; the mixture was stirred for 5 min and filtered. It was washed several times with Et2O and dried to afford the desired product as a hydrochloride salt.
  • 3
  • [ 379228-48-5 ]
  • methanolic ammonia [ No CAS ]
  • [ 129968-11-2 ]
  • [ 379228-47-4 ]
YieldReaction ConditionsOperation in experiment
In isopropyl alcohol 3 Example 3 Example 3 4-(2-bromo-5-methoxyanilino)-7-methoxy-5-(N -methylpiperidin-4-yloxy)quinazoline A mixture of 4-chloro-7-methoxy-5-(N -methylpiperidin-4-yloxy)quinazoline (0.11 g), 2-bromo-5-methoxyaniline hydrochloride (0.099 g) and isopropanol (8 ml) was stirred and heated to 80°C for 30 minutes. The mixture was evaporated and the residue was triturated under the minimum volume of isopropanol. The resultant solid was isolated, washed with isopropanol and with diethyl ether and dried under vacuum. There was thus obtained the title compound as a dihydrochloride salt (0.06 g). A sample of the material was treated with a saturated methanolic ammonia solution. The mixture was filtered and the filtrate was evaporated to give the title compound in free base form; NMR Spectrum (CDCl3): 2.15-2.25 (m, 6H), 2.35 (s, 3H), 2.9 (m, 2H), 3.84 (s, 3H), 3.93 (s, 3H), 4.6 (br s, 1H), 6.62 (s, 1H), 6.6 (m, 1H), 6.85 (s, 1H), 7.5 (d, 1H), 7.9 (s, 1H), 8.55 (s, 1H), 9.64 (br s, 1H); Mass Spectrum : M+H+ 473 and 475.
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