3-Chloro-4-methylphenylboronic Acid
Product Information
Molecular Formula
C7H8ClO2B
Molecular Weight
170.40
Description
Reactant involved in: Intromolecular aromatic carbenoid insertion for the synthesis of fluorenes; Synthesis of biaryl amides with muscarinic acetylcholine receptor subtype M1 agonistic activity; Preparation of borinic acid picolinate esters for use against cutaneous diseases; Synthesis of TRPV1 antagonists as treatment for chronic pain.
Synonyms
(3-chloro-4-methylphenyl)boronic acid; (3-chloro-4-methylphenyl)boronic acid
IUPAC Name
(3-chloro-4-methylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C)Cl)(O)O
InChI
InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key
YTJUYWRCAZWVSX-UHFFFAOYSA-N
Boiling Point
317.3 °C at 760 mmHg
Melting Point
228-232 °C
Density
1.26 g/cm3
LogP
0.32820
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
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-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| WO-2021094208-A1 | Substituted imidazo pyrimidine ep3 antagonists | 2019-11-12 |
| WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 2019-10-17 |
| WO-2020077174-A1 | Phosphodiesterase inhibitors | 2018-10-12 |
| CN-113164487-A | Phosphodiesterase inhibitors | 2018-10-12 |
| EP-3863638-A1 | Phosphodiesterase inhibitors | 2018-10-12 |
| US-2021230160-A1 | Phosphodiesterase inhibitors | 2018-10-12 |
| JP-2022504693-A | Phosphodiesterase inhibitor | 2018-10-12 |
| US-11180499-B2 | Phosphodiesterase inhibitors | 2018-10-12 |
