3,5-dimethyl-4-propoxyphenylboronic acid
Product Information
Molecular Formula
C11H17BO3
Molecular Weight
208.06
Description
3,5-dimethyl-4-propoxyphenylboronic acid is an important organic compound widely used in the biomedical industry. It shows great potential in the development of therapeutic drugs for various diseases, including cancer, diabetes and inflammation.
Synonyms
AKOS BRN-0803; 3,5-DIMETHYL-4-PROPOXYPHENYLBORONIC ACID; (4-PROPOXY-3,5-DIMETHYL)BENZENEBORONIC ACID; 4-PROPOXY-3,5-DIMETHYLPHENYLBORONIC ACID
IUPAC Name
(3,5-dimethyl-4-propoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C(=C1)C)OCCC)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-4-5-15-11-8(2)6-10(12(13)14)7-9(11)3/h6-7,13-14H,4-5H2,1-3H3
InChI Key
ISUPZUFVQLUFLM-UHFFFAOYSA-N
Melting Point
182-187 °C (lit.)
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
208.1270746 g/mol
Monoisotopic Mass
208.1270746 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
175
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 |
|---|---|---|
| US-2015232463-A1 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 2014-02-20 |
| US-9193720-B2 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 2014-02-20 |
| WO-2015126726-A1 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 2014-02-20 |
| EP-2876109-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| KR-101684955-B1 | Furan-containing fused cyclic compound or its salt and pharmaceutical composition comprising the same | 2012-07-23 |
| KR-20140018795-A | Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| US-2015191478-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| US-9493478-B2 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
| US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 2010-04-16 |
