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371766-08-4

371766-08-4 Structure

371766-08-4 Structure
IdentificationMore
[Name]

Isoquinoline-5-boronic acid
[CAS]

371766-08-4
[Synonyms]

5-ISOQUINOLINEBORONIC ACID
5-ISOQUINOLINEBORONIC ACID, HCL
AKOS BRN-0458
CHEMBRDG-BB 4002849
ISOQUINOLIN-5-YLBORONIC ACID
ISOQUINOLIN-5-YLBORONIC ACID, HCL
ISOQUINOLIN-5-YLBORONIC ACID HYDROCHLORIDE
ISOQUINOLINE-5-BORONIC ACID
ISOQUINOLINE-5-BORONIC ACID, HCL
RARECHEM AK VD 0026
Isoquinoline-5-boronic acid hydrochloride
Isoquinoline-5-boronic acid 97%
Isoquinoline-5-boronic acid hydrochloride 97%
[EINECS(EC#)]

640-196-0
[Molecular Formula]

C9H8BNO2
[MDL Number]

MFCD03839356
[Molecular Weight]

172.98
[MOL File]

371766-08-4.mol
Chemical PropertiesBack Directory
[Melting point ]

204-206
[Boiling point ]

419.1±37.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[form ]

solid
[pka]

7.70±0.30(Predicted)
[color ]

Off white to light yellow
[InChIKey]

XKEYHBLSCGBBGU-UHFFFAOYSA-N
[CAS DataBase Reference]

371766-08-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

IRRITANT
[HS Code ]

2933499090
Hazard InformationBack Directory
[Uses]

Isoquinoline-5-boronic acid, HCl
[Synthesis]

5-Bromoisoquinoline

34784-04-8

Isoquinoline-5-boronic acid

371766-08-4

To a solution of 5-bromoisoquinoline (1.46 g, 7.0 mmol) in THF (20 mL) prepared according to the literature method (Brown, W. D et al., Synthesis 2002, 83), triisopropyl borate (2.4 mL, 10.5 mmol) and tertiary-butyllithium (1.7 M, 9.5 mL) were sequentially added at -78 °C. The reaction mixture was slowly warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction was quenched with 1N HCl (10 mL) and a solid product was obtained after decantation of the THF layer. The solid was identified as 5-isoquinolineboronic acid (1.0 g, 82% yield). The mass spectrum (ESI) showed the (M + 1) peak as 174.12.

[References]

[1] Patent: WO2005/72732, 2005, A1. Location in patent: Page/Page column 61
[2] Patent: WO2008/6480, 2008, A1. Location in patent: Page/Page column 5-6
Spectrum DetailBack Directory
[Spectrum Detail]

Isoquinoline-5-boronic acid(371766-08-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

371766-08-4(sigmaaldrich)
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