2-(Methylsulfonyl)phenylboronic acid
Product Information
Molecular Formula
C7H9BO4S
Molecular Weight
200.02
Description
2-(Methylsulfonyl)phenylboronic acid is mainly used in biomedical research as a reagent for drug development. In particular, it has wide application in the synthesis of drugs for the treatment of inflammation and certain cancers, helping to promote related drug innovation.
Synonyms
[2-(Methylsulfonyl)phenyl]boronic acid; 2-(METHYLSULPHONYL)PHENYLBORONIC ACID; 2-(Methylsulphonyl)benzeneboronic acid; 2-methylsulfonyl phenylboronic acid; 2-methylsulfonylphenyl boronic acid; (2-methanesulfonylphenyl)boronic acid; (2-(Methylsulfonyl)phenyl)boronicacid; (2-(methylsulfonyl)phenyl) boronic acid; 2-(METHYLSULFONYL)BENZENEBORONIC ACID; 2-(Methylsulfonyl)phenylboronic acid
IUPAC Name
(2-methylsulfonylphenyl)boronic acid
SMILES
B(C1=CC=CC=C1S(=O)(=O)C)(O)O
InChI
InChI=1S/C7H9BO4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChI Key
MSQFFCRGQPVQRS-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
200.0314601 g/mol
Monoisotopic Mass
200.0314601 g/mol
Topological Polar Surface Area
83Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
256
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 |
|---|---|---|
| WO-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| WO-2022008912-A1 | Benzodiazepine derivatives useful in treating a respiratory syncytial virus infection | 2020-07-07 |
| CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 2020-02-04 |
| CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 2020-02-04 |
| WO-2021012049-A1 | Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors | 2019-07-22 |
| CA-3148278-A1 | Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors | 2019-07-22 |
| CN-114174292-A | Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors | 2019-07-22 |
| WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| AU-2019398910-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| BR-112021010341-A2 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
