2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid
Product Information
Molecular Formula
C17H14BClO3
Molecular Weight
312.6
Description
2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid is a boronic acid derivative used in biomedical research. Its primary application lies in the synthesis of pharmaceuticals targeting cardiovascular diseases and various forms of cancer, enhancing drug efficiency and specificity.
Synonyms
[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronicacid; 2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronicacid; 1072951-65-5; 2-[(4-Chloro-1-naphthyloxy)methyl]phenylboronicacid; 662054_ALDRICH; SCHEMBL2558478
IUPAC Name
[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
SMILES
B(C1=CC=CC=C1COC2=CC=C(C3=CC=CC=C32)Cl)(O)O
InChI
InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2
InChI Key
IAOBABROWUQOMY-UHFFFAOYSA-N
Melting Point
215 °C (dec.)
Flash Point
Not applicable
Purity
95%
Appearance
White to tan powder or crystals
Storage
2-8°C
Safety Information
Hazards
H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
312.0724522 g/mol
Monoisotopic Mass
312.0724522 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
355
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-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
