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Chemistry
Organic Building Blocks
Aryls
2-Bromo-6-fluoro-4-methylbenzonitrile
Chemistry
Organic Building Blocks
Aryls
Bromides Fluorinated Building Blocks Nitriles Benzene Compounds

[ CAS No. 1023971-89-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1023971-89-2
Chemical Structure| 1023971-89-2
Structure of 1023971-89-2 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 1023971-89-2 ]

COA NMR CNMR HPLC LC-MS

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SDS
Alternatived Products of [ 1023971-89-2 ]

Product Details of [ 1023971-89-2 ]

CAS No. :1023971-89-2MDL No. :MFCD28503349
Formula : C8H5BrFN Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :214.03Pubchem ID :24862153
Synonyms :

Computed Properties of [ 1023971-89-2 ]

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

Safety of [ 1023971-89-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1023971-89-2 ]

  • Downstream synthetic route of [ 1023971-89-2 ]

[ 1023971-89-2 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 1023971-89-2 ]
  • [ 68-12-2 ]
  • 2-fluoro-6-formyl-4-methylbenzonitrile [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 2
  • [ 1023971-89-2 ]
  • 2-((3-cyano-5-fluorophenoxy)methyl)-6-fluoro-4-methylbenzonitrile [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 3
  • [ 1023971-89-2 ]
  • 2-(bromomethyl)-6-fluoro-4-methylbenzonitrile [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 4
  • [ 1023971-89-2 ]
  • 2-fluoro-6-(hydroxymethyl)-4-methylbenzonitrile [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 5
  • [ 1023971-89-2 ]
  • 3-((2,4-diamino-7-methylquinazolin-5-yl)methoxy)-5-fluorobenzonitrile [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 6
  • [ 452-80-2 ]
  • [ 1023971-89-2 ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 7
  • potassium cyanide [ No CAS ]
  • [ 18349-09-2 ]
  • [ 1023971-89-2 ]
Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 3094 - 3108
  • 8
  • [ 1023971-89-2 ]
  • 10-bromo-8-methyl-4-(piperidin-4-yl)pyrimido[1,2-b]indazol-2(1H)-one hydrochloride [ No CAS ]
Reference： [1]Patent: WO2015/67549,2015,A1
  • 9
  • [ 1370025-54-9 ]
  • [ 1023971-89-2 ]
YieldReaction ConditionsOperation in experiment
79% With [bis(acetoxy)iodo]benzene; ammonium acetate; sodium dodecyl-sulfate; In water; at 70℃; for 0.5h; A mixture of 2-bromo-6-fluoro-4-methylbenzaldehyde (5.45 g, 25.1 mmol), sodium lauryl sulfate (1.45 g, 5.03 mmol), (Diacetoxyiodo)benzene (12.1 g, 37.7 mmol) and ammonium acetate (9.68 g, 125.6 mmol) in water (25 mL) was stirred at 70 C for 30 min. After extraction with dichloromethane, the organic phase was dried over magnesium sulfate and concentrated in vacuo. Purification via preparative HPLC (Method 1A) afforded the title compound (4.26 g, 79% of theory). GC-MS (Method 1G): Rt = 4.43 min, MS (ESIPos): m/z = 215 [M+H]+
4.26 g With [bis(acetoxy)iodo]benzene; ammonium acetate; sodium dodecyl-sulfate; In water; at 70℃; for 0.5h; Example 149A 2-Bromo-6-fluoro-4-methylbenzonitrile A mixture of 2-bromo-6-fluoro-4-methylbenzaldehyde (5.45 g, 25.1 mmol), sodium lauryl sulfate (1.45 g, 5.03 mmol), (Diacetoxyiodo)benzene (12.1 g, 37.7 mmol) and ammonium acetate (9.68 g, 125.6 mmol) in water (25 mL) was stirred at 70 C. for 30 min After extraction with dichloromethane, the organic phase was dried over magnesium sulfate and concentrated in vacuo. Purification via preparative HPLC (Method 1A) afforded the title compound (4.26 g, 79% of theory). GC-MS (Method 1G): Rt=4.43 min, MS (ESIPos): m/z=215 [M+H]+
Reference： [1]Patent: WO2015/67549,2015,A1.Location in patent: Page/Page column 142
[2]Patent: US2015/126449,2015,A1.Location in patent: Paragraph 0794 - 0796
  • 10
  • [ 1023971-89-2 ]
  • tert-butyl 4-(10-bromo-8-methyl-2-oxo-1,2-dihydropyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate [ No CAS ]
Reference： [1]Patent: US2015/126449,2015,A1
[2]Patent: WO2015/67549,2015,A1

Tags: 1023971-89-2 synthesis path| 1023971-89-2 SDS| 1023971-89-2 COA| 1023971-89-2 purity| 1023971-89-2 application| 1023971-89-2 NMR| 1023971-89-2 COA| 1023971-89-2 structure

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