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Chemical Structure| 1192004-62-8 Chemical Structure| 1192004-62-8

Structure of 1192004-62-8

Chemical Structure| 1192004-62-8

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Product Details of [ 1192004-62-8 ]

CAS No. :1192004-62-8
Formula : C8H7BrN2O
M.W : 227.06
SMILES Code : COC1=CC=C2NN=CC2=C1Br
MDL No. :MFCD17676852
InChI Key :OJJMTCWSLYKVEH-UHFFFAOYSA-N
Pubchem ID :46941913

Safety of [ 1192004-62-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1192004-62-8 ]

* 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.

  • Upstream synthesis route of [ 1192004-62-8 ]

[ 1192004-62-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 29237-10-3 ]
  • [ 1192004-62-8 ]
YieldReaction ConditionsOperation in experiment
52%
Stage #1: With acetic anhydride In acetonitrile at 10 - 35℃; for 1 h;
Stage #2: With n-Amyl nitrite; potassium acetate In acetonitrile for 8 h; Reflux
Reference Example 14 4--bromo-5-methoxy-1H-indazole [Show Image] To a solution of 3-bromo-4-methoxy-2-methylaniline (19.06 g) in acetonitrile (250 mL) was slowly added acetic anhydride (18.9 mL), and the mixture was stirred at room temperature for 1 hr. To the reaction mixture were added potassium acetate (2.60 g) and pentyl nitrite (22.3 g), and the mixture was heated under reflux for 8 hr. The reaction mixture was concentrated, and to the residue was added 6M hydrochloric acid (200 mL), and the mixture was heated under reflux overnight. The reaction mixture was neutralized with 8M sodium hydroxide, and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, dried (MgSO4), and concentrated. The residue was dissolved in tetrahydrofuran, and the solution was treated with activated carbon. The activated carbon was filtered off, the filtrate was concentrated, and the obtained residue was crystallized from diisopropyl ether. The crystals were collected by filtration, washed with diisopropyl ether, and dried to give the title compound (10.42 g, yield 52percent) as yellow crystals. melting point 178-180°C. MS:229(MH+).
References: [1] Patent: EP2266983, 2010, A1, . Location in patent: Page/Page column 48.
[2] Patent: US2009/286800, 2009, A1, . Location in patent: Page/Page column 109; 111.
 

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