ChemicalBook--->CAS DataBase List--->870717-93-4

870717-93-4

870717-93-4 Structure

870717-93-4 Structure
IdentificationBack Directory
[Name]

1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%
[CAS]

870717-93-4
[Synonyms]

1-(Phenylsulfonyl)-3-lndoleboronic acid pinacol ester
1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester
1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%
[1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%]
1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan...
1-(BENZENESULFONYL)-3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLE
1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
1H-Indole, 1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C20H22BNO4S
[MDL Number]

MFCD08276778
[MOL File]

870717-93-4.mol
[Molecular Weight]

383.27
Chemical PropertiesBack Directory
[Melting point ]

120-125℃
[Boiling point ]

556.4±42.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

solid
[Appearance]

White to yellow Solid
[InChI]

1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
[InChIKey]

OMZLHWZHHPAZPW-UHFFFAOYSA-N
[SMILES]

CC1(C)OB(OC1(C)C)c2cn(c3ccccc23)S(=O)(=O)c4ccccc4
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1-(Phenylsulfonyl)-3-indolylboronic Acid Pinacol Ester is used as a reactant in the preparation of 3-(2-(pyridyl)ethenyl)indoles that are tryptophan dioxygenase (TDO) inhibitors and potential anticancer immunomodulators.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%(870717-93-4)1HNMR
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