6-Bromo-1-isoquinolinecarbonitrile

Product Name: 6-Bromo-1-isoquinolinecarbonitrile
CAS No.: 1082674-24-5
Chemical Name: 6-Bromo-1-isoquinolinecarbonitrile
Synonyms: 6-Bromo-1-isoquinolinecarbonitrile;1-Isoquinolinecarbonitrile, 6-bromo-
CBNumber: CB42717371
Molecular Formula: C10H5BrN2
Formula Weight: 233.06
MOL File: 1082674-24-5.mol

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6-Bromo-1-isoquinolinecarbonitrile Property

Melting point:: 152℃
Boiling point:: 403.9±25.0 °C(Predicted)
Density: 1.66±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -1.02±0.38(Predicted)

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Safety

HS Code: 2933499090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: B111715
Product name: 6-Bromoisoquinoline-1-carbonitrile
Packaging: 500mg
Price: $310
Updated: 2021/12/16

Apolloscientific

Product number: OR55470
Product name: 6-Bromoisoquinoline-1-carbonitrile
Packaging: 1g
Price: $399
Updated: 2021/12/16

AK Scientific

Product number: 0804DY
Product name: 6-Bromoisoquinoline-1-carbonitrile
Packaging: 1g
Price: $417
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H37-B-0A
Product name: 6-Bromoisoquinoline-1-carbonitrile
Packaging: 1g
Price: $472
Updated: 2021/12/16

Apolloscientific

Product number: OR55470
Product name: 6-Bromoisoquinoline-1-carbonitrile
Packaging: 250mg
Price: $163
Updated: 2021/12/16

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6-Bromo-1-isoquinolinecarbonitrile Chemical Properties,Usage,Production

Synthesis

7677-24-9

223671-16-7

1082674-24-5

Trimethylcyanosilane (52.0 mL, 580.0 mmol) was slowly added dropwise to a stirred solution of compound A2 (65.0 g, 290.0 mmol) and 1,8-diazabicycloundec-7-ene (DBU, 50.0 mL, 348.0 mmol) in tetrahydrofuran (THF, 500 mL) over a period of 15 min at room temperature. The reaction mixture was continued to be stirred at room temperature for 1 hour. Upon completion of the reaction, water was added to the mixture and extracted with dichloromethane (DCM). The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4) and subsequently concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (100-200 mesh) with the eluent being a gradient solution of 0-4% ethyl acetate (EtOAc) in petroleum ether, which resulted in the target compound 6-bromoisoquinoline-1-carbonitrile (A3) as a white solid in 41 g (61% yield). Thin layer chromatography (TLC) showed an Rf value of 0.6 (30% EtOAc in petroleum ether solution). Liquid chromatography-mass spectrometry (LCMS) analysis showed m/z = 233 ([M + H]+). Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, DMSO-d6) data were as follows: δ 8.07 (dd, J = 11.2, 2.0 Hz, 1H), 8.21 (m, 2H), 8.55 (br s, 1H), 8.77 (d, J = 7.6 Hz, 1H).

References

[1] Patent: WO2015/181676, 2015, A1. Location in patent: Page/Page column 133

6-Bromo-1-isoquinolinecarbonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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6-Bromo-1-isoquinolinecarbonitrile Suppliers

China 30 India 3 United Kingdom 1 United States 3 Global 37

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1082674-24-5