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[ CAS No. 1162676-00-7 ]

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2D
Chemical Structure| 1162676-00-7
Chemical Structure| 1162676-00-7
Structure of 1162676-00-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1162676-00-7 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1162676-00-7 ]

SDS

Product Details of [ 1162676-00-7 ]

CAS No. :1162676-00-7MDL No. :MFCD20725083
Formula :C8H7F2NO2Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :187.14Pubchem ID :20203328
Synonyms :

Computed Properties of [ 1162676-00-7 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1162676-00-7 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305 P351 P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1162676-00-7 ]

  • Downstream synthetic route of [ 1162676-00-7 ]

[ 1162676-00-7 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 1162676-00-7 ]
  • methyl 3,5-difluoro-4-((1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)diazenyl)benzoate [ No CAS ]
  • 2
  • [ 1162676-00-7 ]
  • methyl (E)-3,5-difluoro-4-((1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)diazenyl)benzoate [ No CAS ]
  • methyl 3,5-difluoro-4-((1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)diazenyl)benzoate [ No CAS ]
  • 3
  • [ 1162676-00-7 ]
  • methyl (E)-4-((1H-pyrazol-3-yl)diazenyl)-3,5-difluorobenzoate [ No CAS ]
  • 4
  • [ 1162676-00-7 ]
  • (E)-4-((2-boronophenyl)diazenyl)-3,5-difluorobenzoic acid [ No CAS ]
  • 5
  • [ 1162676-00-7 ]
  • (E)-(2-((2,6-difluoro-4-(methoxycarbonyl)phenyl)diazenyl)phenyl)boronic acid [ No CAS ]
  • 6
  • [ 1162676-00-7 ]
  • methyl 3,5-difluoro-4-nitrosobenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With potassium peroxymonosulphate; In dichloromethane; water; for 24.0h; Methyl 4-amino-3,5-difluorobenzoate (2.52 g, 13.5 mmol) was dissolved in DCM (60 mL) into a 500 mL RBF equipped with a stir bar, and oxone (30.2 g, 49.1 mmol) in water (240 mL) was added to the solution, which was left to react for 24 hours. The organic layer was washed with 1M HC1 (lx), 1M NaOH (lx), and DI water (lx). This was concentrated to give the title product (2.05 g, 76%) as a yellow solid, which was used in the next reaction without further purification.
  • 7
  • [ 1162676-00-7 ]
  • (6-bromo-3-methyl-2-phenylquinolin-4-yl)(1H-imidazol-1-yl)methanone [ No CAS ]
  • 4-{[(6-bromo-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3,5-difluorobenzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydride; In tetrahydrofuran; mineral oil; Example 12 4-{[(6-Bromo-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3,5-difluorobenzoic acid (0809) (0810) 500 mg (1.28 mmol) of the compound from example 2A and 286 mg (1.53 mmol) of 399 [1162676-00-7]methyl 4-amino-3,5-difluorobenzoate were dissolved in 10 ml of 163 THF, and 112 mg (2.80 mmol) of 373 sodium hydride (60% in 374 mineral oil) were added at RT. After stirring overnight, the solvent was removed on a rotary evaporator. The residue, without further workup, was purified by means of preparative HPLC (method 13). The 400 product thus obtained was stirred with acetonitrile, and the resulting solids were filtered off and washed with acetonitrile. Drying under reduced pressure gave 124 mg (18% of theory, purity 94%) of the title compound. (0811) 1H-NMR (400 MHz, DMSO-d6): [ppm]=10.69 (s, 1H), 8.08 (d, 1H), 8.06-8.03 (d, 1H), 7.96-7.94 (dd, 1H), 7.65-7.63 (m, 2H), 7.58-7.50 (m, 5H), 2.48 (s, 3H). (0812) LC/MS (Method 1, ESIpos): Rt=1.08 min, m/z=497/499 [M+H]+.
  • 8
  • [ 1162676-00-7 ]
  • 2-[(3,5-Difluoro-4-amino)benzyl]imidazoline hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 5 2-[(3,5-Difluoro-4-amino)benzyl]imidazoline hydrochloride Starting with [1162676-00-7]methyl-3,5-difluoro-4-amino benzoate and utilizing consecutively the procedures of Examples 1-4, affords the desired compound.
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