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Home > Encyclopedia > 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone structure

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone 

structure
  • CAS No:

    76041-79-7

  • Formula:

    C6H3BrF3NO

  • Chemical Name:

    5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone

  • Synonyms:

    2(1H)-Pyridinone,5-bromo-3-(trifluoromethyl)-;5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone;5-Bromo-3-(trifluoromethyl)-2-pyridone;2-Hydroxy-3-trifluoromethyl-5-bromopyridine;5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine;5-Bromo-3-trifluoromethylpyridin-2(1H)-one;5-Bromo-3-(trifluoromethyl)pyridin-2-ol

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone Basic Attributes

241.9933296

241.99

DTXSID00542096

2933399090

Characteristics

29.1

1.5

Solid

1.9±0.1 g/cm3

229.4°C at 760 mmHg

118.1±25.9 °C

1.507

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone Use and Manufacturing

Step 1 : 5-Bromo-3-(trifluoromethyl)pyridin-2(1 - )-one (P45a) To a solution of 3-(trifluoromethyl)pyridin-2(1 /-/)-one (25.0 g, 0.15 mol) in AcOH (300 mL) were added NaOAc (15.1 g, 0.18 mol) and dropwise BrTo a solution of 3-(trifluoromethyl)-2(1H)-pyridinone (D15) (10 g) in tetrahydrofuran (THF) (100 mL) stirred in air at room temperature was added NBS (14.19 g) portionwise. The reaction mixture was stirred for 4 h, then diluted with water (100 mL), extracted with ethyl acetate (3*50 mL). The combined organic phases were dried over sodium sulphate and concentrated to give 5-bromo-3-(trifluoromethyl)-2(1H)-pyridinone (D16) (14 g) as yellow solid. MS (ES): CGeneral procedure: In an oven-dried vial equipped with a magnetic stirrer and a PTFE septum, [Ir{dF(CF

Computed Properties

Molecular Weight:241.99
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:240.93501
Monoisotopic Mass:240.93501
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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