1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE
- Product Name
- 1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE
- CAS No.
- 181514-35-2
- Chemical Name
- 1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE
- Synonyms
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H);7-BROMO-N-TRIFLUOROACETYL-1,2,3,4-TETRAHYDROISOQUINOLINE;7-BroMo-2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline, 98%;1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE;1-(7-Bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone;1-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one;Ethanone, 1-(7-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
- CBNumber
- CB2742371
- Molecular Formula
- C11H9BrF3NO
- Formula Weight
- 308.09
- MOL File
- 181514-35-2.mol
1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Property
- Boiling point:
- 392.9±42.0 °C(Predicted)
- Density
- 1.611±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.91±0.20(Predicted)
- Appearance
- White to off-white Solid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- CS-0039087
- Product name
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one
- Packaging
- 1g
- Price
- $118
- Updated
- 2021/12/16
- Product number
- P000471270
- Product name
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
- Purity
- 95%
- Packaging
- 5g
- Price
- $184
- Updated
- 2021/12/16
- Product number
- P000471270
- Product name
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
- Purity
- 95%
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- P000471270
- Product name
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
- Purity
- 95%
- Packaging
- 10g
- Price
- $315
- Updated
- 2021/12/16
- Product number
- CS-0039087
- Product name
- 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one
- Packaging
- 5g
- Price
- $354
- Updated
- 2021/12/16
1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Chemical Properties,Usage,Production
Synthesis
17680-55-6
407-25-0
181514-35-2
General procedure for the synthesis of N-trifluoroacetyl-7-bromo-1,2,3,4-tetrahydroisoquinoline from 7-bromo-1,2,3,4-tetrahydroisoquinoline and trifluoroacetic anhydride: pyridine (3.79 mL, 47.1 mmol) and 4-N,N-dimethylaminopyridine (58.0 mg, 0.471 mmol) were added sequentially to a solution of chloroform (80 mL) of 7-bromo-1,2,. 3,4-tetrahydroisoquinoline (5.00 g, 23.6 mmol) to a solution of chloroform (80 mL). Subsequently, trifluoroacetic anhydride (3.59 mL, 25.9 mmol) was added slowly and dropwise. The reaction mixture was gradually warmed to room temperature and stirred continuously for 14 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure and the resulting residue was diluted with ethyl acetate. The organic phase was washed with 1 mol/L hydrochloric acid, saturated aqueous sodium bicarbonate and brine, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography with 10% to 25% ethyl acetate/hexane as eluent to afford the target product N-trifluoroacetyl-7-bromo-1,2,3,4-tetrahydroisoquinoline (6.97 g, 96% yield) as a pale yellow oil. The product was structurally confirmed by nuclear magnetic resonance hydrogen (1H NMR, 600 MHz, CDCl3) and carbon (13C NMR, 151 MHz, CDCl3) spectra as well as high-resolution mass spectrometry (HRMS-EI).
References
[1] Heterocycles, 2016, vol. 92, # 3, p. 470 - 484
[2] Chemical and Pharmaceutical Bulletin, 2016, vol. 64, # 3, p. 228 - 238
[3] Patent: EP2687507, 2014, A1. Location in patent: Paragraph 0209
1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Preparation Products And Raw materials
Raw materials
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