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ChemicalBook >> CAS DataBase List >>1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE

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
Molecular Weight:
308.09
MDL Number:
MFCD07644563
MOL File:
181514-35-2.mol
Last updated:2025-07-24 18:13:45

1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Properties

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

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE price More Price(14)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
ChemScene CS-0039087 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one 181514-35-2 1g $118 2021-12-16 Buy
Ark Pharm P000471270 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone 95% 181514-35-2 5g $184 2021-12-16 Buy
Ark Pharm P000471270 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone 95% 181514-35-2 1g $75 2021-12-16 Buy
Ark Pharm P000471270 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone 95% 181514-35-2 10g $315 2021-12-16 Buy
ChemScene CS-0039087 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one 181514-35-2 5g $354 2021-12-16 Buy
Product number Packaging Price Buy
CS-0039087 1g $118 Buy
P000471270 5g $184 Buy
P000471270 1g $75 Buy
P000471270 10g $315 Buy
CS-0039087 5g $354 Buy

1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Chemical Properties,Uses,Production

Synthesis

7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

17680-55-6

Trifluoroacetic anhydride

407-25-0

1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE

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

1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE Suppliers

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1-(7-BROMO-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-2,2,2-TRIFLUOROETHANONE 7-BROMO-N-TRIFLUOROACETYL-1,2,3,4-TETRAHYDROISOQUINOLINE Ethanone, 1-(7-broMo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro- 7-BroMo-2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline, 98% 1-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one 1-(7-Bromo-3,4-dihydroisoquinolin-2(1H) 1-(7-Bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone 181514-35-2