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937048-76-5

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937048-76-5 Structure

937048-76-5 Structure
IdentificationBack Directory
[Name]

2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
[CAS]

937048-76-5
[Synonyms]

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
2-Boc-3,4-dihydro-1H-isoquinoline-7-boronic acid picol ester
2-Boc-3,4-dihydro-1H-isoquinoline-7-boronic acid pinacol ester
(2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)BORONIC ACID PINACOL ESTER
tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carbo
tert-Butyl 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
[Molecular Formula]

C20H30BNO4
[MDL Number]

MFCD11044674
[MOL File]

937048-76-5.mol
[Molecular Weight]

359.27
Chemical PropertiesBack Directory
[Boiling point ]

462.2±45.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

-1.54±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-11-10-14-8-9-16(12-15(14)13-22)21-25-19(4,5)20(6,7)26-21/h8-9,12H,10-11,13H2,1-7H3
[InChIKey]

UPDWDCOAUJYOTG-UHFFFAOYSA-N
[SMILES]

C1C2=C(C=CC(B3OC(C)(C)C(C)(C)O3)=C2)CCN1C(OC(C)(C)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2933490090
Hazard InformationBack Directory
[Uses]

7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic Acid tert-Butyl Ester is a reactant in the synthesis of tyrosine kinase inhibitors in the treatment of proliferative diseases.
Spectrum DetailBack Directory
[Spectrum Detail]

2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER(937048-76-5)1HNMR
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