ChemicalBook > CAS DataBase List > Ethyl 7-bromoisoquinoline-3-carboxylate

Ethyl 7-bromoisoquinoline-3-carboxylate

Product Name
Ethyl 7-bromoisoquinoline-3-carboxylate
CAS No.
660830-62-6
Chemical Name
Ethyl 7-bromoisoquinoline-3-carboxylate
Synonyms
Ethyl 7-bromoisoquinoline-3-carboxylate;7-Bromo-isoquinoline-3-carboxylic acid ethyl ester;3-Isoquinolinecarboxylic acid, 7-bromo-, ethyl ester;Ethyl 7-bromoisoquinoline-3-carboxylate ISO 9001:2015 REACH
CBNumber
CB42471406
Molecular Formula
C12H10BrNO2
Formula Weight
280.12
MOL File
660830-62-6.mol
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Ethyl 7-bromoisoquinoline-3-carboxylate Property

Boiling point:
406.4±25.0 °C(Predicted)
Density 
1.495±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
pka
2.01±0.33(Predicted)
Appearance
Off-white to light yellow Solid
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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.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

AK Scientific
Product number
0148AC
Product name
Ethyl7-bromoisoquinoline-3-carboxylate
Packaging
250mg
Price
$277
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0369036
Product name
ETHYL-7-BROMOISOQUINOLINE-3-CARBOXYLATE
Purity
95.00%
Packaging
5MG
Price
$503.99
Updated
2021/12/16
AK Scientific
Product number
0148AC
Product name
Ethyl7-bromoisoquinoline-3-carboxylate
Packaging
1g
Price
$617
Updated
2021/12/16
Ambeed
Product number
A375605
Product name
Ethyl7-bromoisoquinoline-3-carboxylate
Purity
98%
Packaging
100mg
Price
$113
Updated
2021/12/16
Ambeed
Product number
A375605
Product name
Ethyl7-bromoisoquinoline-3-carboxylate
Purity
98%
Packaging
250mg
Price
$185
Updated
2021/12/16
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Ethyl 7-bromoisoquinoline-3-carboxylate Chemical Properties,Usage,Production

Synthesis

13209-32-0

13433-00-6

660830-62-6

To a stirred solution of 4-bromophthalaldehyde (1.6 g, 7.74 mmol, 1.0 eq.) in ethanol (20 mL) was added diethyl aminomalonate hydrochloride (1.63 g, 7.74 mmol, 1.0 eq.) and sodium ethanolate (3.9 mL, 11.61 mmol, 1.5 eq.) in turn, and the reaction mixture was stirred at 80 °C under nitrogen protection for 4 for 4 hours. After completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched with saturated ammonium chloride solution. Subsequently, the reaction mixture was extracted with ethyl acetate (2 x 50 mL), the organic phases were combined and dried over anhydrous sodium sulfate. The organic phase was concentrated under reduced pressure to give the crude product. The crude products from the two experiments were combined and purified by fast column chromatography on silica gel, the eluent being a 15-25% ethyl acetate/hexane solvent mixture. The target fractions were collected and concentrated under reduced pressure to afford ethyl 7-bromoisoquinoline-3-carboxylate (1.2 g, 28% yield) as a brown solid. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 1.49 (t, J=7.2Hz, 3H), 4.51-4.57 (m, 2H), 7.86 (s, 2H), 8.24 (s, 1H), 8.56 (s, 1H), 9.28 (s, 1H).

References

[1] Patent: WO2018/15879, 2018, A1. Location in patent: Page/Page column 85

Ethyl 7-bromoisoquinoline-3-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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660830-62-6, Ethyl 7-bromoisoquinoline-3-carboxylateRelated Search:


  • Ethyl 7-bromoisoquinoline-3-carboxylate
  • 7-Bromo-isoquinoline-3-carboxylic acid ethyl ester
  • 3-Isoquinolinecarboxylic acid, 7-bromo-, ethyl ester
  • Ethyl 7-bromoisoquinoline-3-carboxylate ISO 9001:2015 REACH
  • 660830-62-6