(3-chloro-2-methylphenyl)boronic acid
Product Information
Molecular Formula
C7H8BClO2
Molecular Weight
170.40
Description
(3-chloro-2-methylphenyl)boronic acid is a pharmaceutical intermediate vital in the development of various drugs. It is commonly used in Suzuki coupling reactions to synthesize bioactive molecules for disease research including cancer.
Synonyms
3-CHLORO-2-METHYLPHENYLBORONIC ACID; 3-CHLORO-2-METHYLPHENYBORONIC ACID; 3-Chloro-2-methylbenzeneboronic acid; Boronic acid, (3-chloro-2-methylphenyl)-; (3-chloro-2-methyl-phenyl)boronic Acid; -Chloro-2-methyl-phenylboronic Acid; 3-Chloro-2-methyl phenyl boronic acid; (3-chloro-2-methylphenyl)boronic acid
IUPAC Name
(3-chloro-2-methylphenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)Cl)C)(O)O
InChI
InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
InChI Key
BJPNVVXTUYMJPN-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
170.0305874 g/mol
Monoisotopic Mass
170.0305874 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
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-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021142252-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2019149965-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| AU-2019213484-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| CA-3086668-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| CN-111683660-A | Compounds and compositions for the treatment of pain | 2018-02-05 |
| EP-3749305-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| KR-20200118005-A | Compounds and compositions for the treatment of pain | 2018-02-05 |
| BR-112020014146-A2 | COMPOUNDS AND COMPOSITIONS FOR PAIN TREATMENT | 2018-02-05 |
