ChemicalBook--->CAS DataBase List--->171364-85-5

171364-85-5

171364-85-5 Structure

171364-85-5 Structure
IdentificationBack Directory
[Name]

QUINOLINE-3-BORONIC ACID PINACOLATE
[CAS]

171364-85-5
[Synonyms]

AKOS BRN-1143
QUINOLINE-3-BORONIC ACID PINACOLATE
quinoline-boronic acid pinacol ester
QUINOLINE-3-BORONIC ACID PINACOL ESTER
3-Quinolineboronic acid pinacol ester 95%
3-QUINOLINEBORONIC ACID PINACOL ESTER, 97%
4,4,5,5-Tetramethyl-2-(3-quinolyl)-1,3,2-dioxaborolane
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINOLINE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinolone
Quinoline, 3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
3-hydroxy-2,3-diMethylbutan-2-yl hydrogen quinolin-3-ylboronate
[Molecular Formula]

C15H18BNO2
[MDL Number]

MFCD05155218
[MOL File]

171364-85-5.mol
[Molecular Weight]

255.12
Chemical PropertiesBack Directory
[Melting point ]

56-60 °C(lit.)
[Boiling point ]

386.5±15.0 °C(Predicted)
[density ]

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

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Powder or Solid
[pka]

5.12±0.12(Predicted)
[color ]

White to pale brown
[InChI]

1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h5-10H,1-4H3
[InChIKey]

ARRJAONCYUAPJR-UHFFFAOYSA-N
[SMILES]

CC1(C)OB(OC1(C)C)c2cnc3ccccc3c2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933499090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-Quinolineboronic Acid Pinacol Ester is used as a reagent in the synthesis of 11-(pyridinylphenyl)steroids which is a novel class of mixed progesterone agonists / antagonists.
Spectrum DetailBack Directory
[Spectrum Detail]

QUINOLINE-3-BORONIC ACID PINACOLATE(171364-85-5)1HNMR
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