| Identification | Back Directory | [Name]
8-isoquinolinyl-boronic acid | [CAS]
721401-43-0 | [Synonyms]
8-Boronoisoquinoline
8-ISOQUINOLYLBORONIC ACID
isoquinolin-8-ylboronicaci
Isoquinoline-8-boronic acid
Isoquinoliine-8-boronic acid
8-isoquinolinyl-boronic acid
Isoquinolin-8-ylboronic acid
Isoquinonline-8-boronic acid
isoquinolin-8-yl-8-boronic acid
Boronic acid, B-8-isoquinolinyl-
BORONIC ACID,8-ISOQUINOLINYL- (9CI)
Isoquinonline-8-boronic acid≥ 95% (HPLC) | [EINECS(EC#)]
-0 | [Molecular Formula]
C9H8BNO2 | [MDL Number]
MFCD11044913
| [MOL File]
721401-43-0.mol | [Molecular Weight]
172.98 |
| Chemical Properties | Back Directory | [Boiling point ]
419.1±37.0 °C(Predicted) | [density ]
1.28±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder | [pka]
7.46±0.30(Predicted) | [color ]
Yellow | [InChI]
1S/C9H8BNO2/c12-10(13)9-3-1-2-7-4-5-11-6-8(7)9/h1-6,12-13H | [InChIKey]
RKCMKNFWHLIGSF-UHFFFAOYSA-N | [SMILES]
B(O)(O)c1c2c(ccnc2)ccc1 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow to beige solid | [Synthesis]
To a solution of 8-bromoisoquinoline (2.0 g, 9.6 mmol) in tetrahydrofuran (THF, 40 mL) was slowly added n-butyllithium (n-BuLi, 2.5 M, 4.2 mL, 10.6 mmol) dropwise at -78 °C and under nitrogen protection. After 1 hour of reaction, trimethyl borate (B(OMe)3, 2.0 g, 19.2 mmol) was added, followed by slow warming of the reaction mixture to 0 °C and kept for 1 hour. Upon completion of the reaction, the reaction was quenched with saturated aqueous sodium bicarbonate (NaHCO3) followed by three extractions with ethyl acetate (EtOAc). The organic layers were combined, washed with saturated saline, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford the target product 8-isoquinolineboronic acid (680 mg, 41% yield) as a light yellow solid. Liquid chromatography-mass spectrometry (LCMS) analysis showed [M+H]+ m/z 174.1. | [References]
[1] Patent: WO2018/165718, 2018, A1. Location in patent: Page/Page column 93 |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
SynAsst Chemical.
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| Telephone: |
021-60343070 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm |
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