1-(Phenylsulfonyl)-1H-indole-3-boronic Acid
Product Information
Molecular Formula
C14H12NO4SB
Molecular Weight
301.13
Description
1-(Phenylsulfonyl)-3-indolylboronic acid can be used for chemoselective cross-coupling to form carbon-carbon bonds.
Synonyms
[1-(benzenesulfonyl)-3-indolyl]boronic acid; [1-(benzenesulfonyl)indol-3-yl]boronic acid
IUPAC Name
[1-(benzenesulfonyl)indol-3-yl]boronic acid
SMILES
B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)(O)O
InChI
InChI=1S/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
InChI Key
YKTZLHLBQGCFQX-UHFFFAOYSA-N
Boiling Point
581.384 °C at 760 mmHg
Melting Point
144 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.35 g/cm3
Appearance
Color beige powder
Storage
2-8 °C
LogP
1.63890
Safety Information
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
301.0580092 g/mol
Monoisotopic Mass
301.0580092 g/mol
Topological Polar Surface Area
87.9Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
458
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112939989-A | 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 2021-03-03 |
| CN-112939989-B | 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 2021-03-03 |
| WO-2022033612-A1 | 7-(3,4-dimethoxy-5-selenomethylphenyl)-pyrrolo[2,3-d]pyrimidine and use thereof | 2021-03-03 |
| CN-113354651-A | Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines | 2020-07-30 |
| WO-2019058132-A1 | HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF KINASE CDK12 | 2017-09-22 |
| EP-3684776-A1 | Heterocyclyl substituted pyrrolopyridines that are inhibitors of the cdk12 kinase | 2017-09-22 |
| US-2020247824-A1 | Heterocyclyl substituted pyrrolopyridines that are inhibitors of the cdk12 kinase | 2017-09-22 |
| AU-2017295863-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 2016-07-13 |
| BR-112019000716-A2 | cyclin dependent kinase inhibitors (cdk7) | 2016-07-13 |
| EP-3484871-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 2016-07-13 |
