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1-Bromoisoquinoline

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CAS:1532-71-4
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1-Bromoisoquinoline manufacturers

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  • 1-Bromoisoquinoline
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  • $8.00 / 1KG
  • 2019-07-06
  • CAS:1532-71-4
  • Min. Order: 1KG
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1-Bromoisoquinoline Basic information
Product Name:1-Bromoisoquinoline
Synonyms:1-BROMOISOQUINOLINE;1-BROMOISOQUINOLINE, 95+%;Isoquinoline, 1-broMo- Superlist NaMe:1-broMoisoquinoline;Isoquinoline, 1-broMo-;1-Bromoisoquinoline 95%;1-Bromoisoquinoline >;1-Bromoisoquinoline, White to amber;1-Bromoisoquinoline ISO 9001:2015 REACH
CAS:1532-71-4
MF:C9H6BrN
MW:208.05
EINECS:
Product Categories:Quinoline&Isoquinoline;Isoquinoline Derivertives;Heterocyclic Series
Mol File:1532-71-4.mol
1-Bromoisoquinoline Structure
1-Bromoisoquinoline Chemical Properties
Melting point 42.0 to 46.0 °C
Boiling point 316.3±15.0 °C(Predicted)
density 1.564±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
form Low Melting Solid
pka2.03±0.30(Predicted)
color Light yellow to light brown
InChI1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKeyYWWZASFPWWPUBN-UHFFFAOYSA-N
SMILESBrc1nccc2ccccc12
CAS DataBase Reference1532-71-4(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,T
Risk Statements 25-41
Safety Statements 26-45
RIDADR UN 2811 6.1 / PGIII
WGK Germany 2
HS Code 29334900
Storage Class6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
Hazard ClassificationsAcute Tox. 3 Oral
Eye Dam. 1
MSDS Information
1-Bromoisoquinoline Usage And Synthesis
Chemical PropertiesLigt yellow to light brown low melting solid
Synthesis
ISOQUINOLINE N-OXIDE

1532-72-5

1-Bromoisoquinoline

1532-71-4

General method: To a stirred solution of isoquinoline-N-oxide (0.1 M in anhydrous CH2Cl2), POBr3 (1.2 eq.) was slowly added under argon protection at 0 °C, followed by dropwise addition of DMF (0.5 eq.). The reaction mixture was gradually warmed to 25 °C and stirred continuously until the reaction was complete (monitored by TLC). Upon completion of the reaction, saturated aqueous sodium carbonate solution was slowly added and the pH was adjusted to 7-8. The organic and aqueous phases were separated and the aqueous phase was fully extracted with CH2Cl2. All organic phases were combined, washed with brine, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast column chromatography with the eluent of petroleum ether/ethyl acetate (100:1).

References[1] Organic Letters, 2015, vol. 17, # 12, p. 2948 - 2951
[2] Organic Letters, 2013, vol. 15, # 4, p. 792 - 795
[3] Tetrahedron, 2016, vol. 72, # 38, p. 5762 - 5768
[4] Organic Letters, 2016, vol. 18, # 9, p. 1956 - 1959
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