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ChemicalBook >> CAS DataBase List >>1-ISOQUINOLIN-1-YL-ETHANONE

1-ISOQUINOLIN-1-YL-ETHANONE

CAS No.
58022-21-2
Chemical Name:
1-ISOQUINOLIN-1-YL-ETHANONE
Synonyms
1-(Isoquinolin-1-yl);1-acetylisoquinoline;1-ISOQUINOLIN-1-YL-ETHANONE;1-(1-Isoquinolinyl)ethanone;Ethanone, 1-(1-isoquinolinyl)-;1-(Isoquinolin-1-yl)ethan-1-one
CBNumber:
CB1770607
Molecular Formula:
C11H9NO
Molecular Weight:
171.2
MDL Number:
MFCD08062665
MOL File:
58022-21-2.mol
Last updated:2025-07-24 18:13:54

1-ISOQUINOLIN-1-YL-ETHANONE Properties

Melting point 48 °C
Boiling point 149-150 °C(Press: 12 Torr)
Density 1.154±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka 1.54±0.30(Predicted)
Appearance Light yellow to yellow Liquid

1-ISOQUINOLIN-1-YL-ETHANONE price More Price(20)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC I918550 1-(Isoquinolin-1-yl)ethanone 58022-21-2 50mg $90 2021-12-16 Buy
American Custom Chemicals Corporation CHM0069782 ETHANONE, 1-(1-ISOQUINOLINYL)- 95.00% 58022-21-2 1G $1394.66 2021-12-16 Buy
Crysdot CD11100544 1-(Isoquinolin-1-yl)ethanone 95+% 58022-21-2 10g $1406 2021-12-16 Buy
Alichem 58022212 1-(Isoquinolin-1-yl)ethanone 58022-21-2 10g $1462.6 2021-12-16 Buy
Ambeed A221887 1-(Isoquinolin-1-yl)ethanone 97% 58022-21-2 25g $1652 2021-12-16 Buy
Product number Packaging Price Buy
I918550 50mg $90 Buy
CHM0069782 1G $1394.66 Buy
CD11100544 10g $1406 Buy
58022212 10g $1462.6 Buy
A221887 25g $1652 Buy

1-ISOQUINOLIN-1-YL-ETHANONE Chemical Properties,Uses,Production

Synthesis

1-Isoquinolinecarbonitrile

1198-30-7

1-ISOQUINOLIN-1-YL-ETHANONE

58022-21-2

General procedure for the synthesis of 1-acetylisoquinoline from 1-cyanoisoquinoline: An ether solution of methylmagnesium bromide (8.1 mL, 24.3 mmol) was dissolved in 16 mL of tetrahydrofuran under nitrogen protection in a pre-oven-dried 100 mL two-necked round-bottomed flask. The reaction system was cooled to 0 °C and 1-isoquinolinecarbonitrile (3.0 g, 19.5 mmol) was added after dilution with 8 mL of ether. The reaction mixture was heated to reflux for 1 h. Subsequently, the reaction was cooled to 0 °C and quenched with 20 mL of 6 M hydrochloric acid. The reaction solution was warmed to 50 °C and maintained for 2 h. After cooling, it was poured into 75 mL of 2 N sodium hydroxide solution. The mixture was extracted with ethyl acetate (3 x 80 mL), the organic phases were combined and dried over potassium carbonate. The dried organic phase was concentrated under vacuum to give the crude product as an amber colored oil. The crude product was purified by silica gel column chromatography (150 g, 230-400 mesh) with 10% acetone/hexane as eluent and 22 mL of fractions were collected. The fractions 16-26 were combined and concentrated to give 2.1 g of 1-acetylisoquinoline (62% yield). The product was analyzed by NMR hydrogen spectrum (CDCl3, TMS): δ 2.87 (s, 3H), 7.64-7.73 (m, 2H), 7.80 (d, J = 5.5 Hz, 1H), 7.83-7.88 (m, 1H), 8.58 (d, J = 5.5 Hz, 1H), 8.94-8.98 (m, 1H) ppm; NMR carbon spectrum ( CDCl3): δ 28.6, 124.6, 125.7, 126.9, 127.0, 129.1, 130.3, 137.0, 141.0, 152.8, 202.7 ppm confirmed. Thin layer chromatography (silica gel-60, F-254): Rf = 0.45 (acetone/hexane, 20%). IR spectrum (νmax, liquid film): 3054, 1694, 1582, 1358, 1239, 1133, 940, 833, 750 cm-1. Mass spectrum: [M/Z] (relative intensity): 171 (63). Elemental analysis: Calculated values (C11H9NO): C, 77.17; H, 5.30; N, 8.18. Measured values: C, 77.09; H, 5.33; N, 8.10.

References

[1] Patent: US6043248, 2000, A

1-ISOQUINOLIN-1-YL-ETHANONE Preparation Products And Raw materials

1-ISOQUINOLIN-1-YL-ETHANONE Suppliers

Global( 54)Suppliers
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Accela ChemBio Inc.
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NovoChemy Ltd. 021-31261262/ 49 (0)17662837245 sales@novochemy.com Germany 6328 58
SynAsst Chemical. 021-60343070 China 12740 55
Shanghai Sheepchem Co., Ltd. +86 (21) 6715-7650 sheepchem@163.com China 994 60

1-ISOQUINOLIN-1-YL-ETHANONE Spectrum

1-ISOQUINOLIN-1-YL-ETHANONE 1-acetylisoquinoline 1-(Isoquinolin-1-yl) Ethanone, 1-(1-isoquinolinyl)- 1-(Isoquinolin-1-yl)ethan-1-one 1-(1-Isoquinolinyl)ethanone 58022-21-2