4-Propoxyphenylboronic Acid
Product Information
Molecular Formula
C9H13O3B
Molecular Weight
180.01
Description
Reactant for: Synthesis of obovatol derivatives as anti-platelet activity; Suzuki-Miyaura reaction with chloro arenes using (phenylphosphine)palladium catalyst; Preparation of bisaryl substituted thiazoles and oxazoles as selective peroxisome proliferator-activated receptor δ (PPARδ) agonists; Selective BACE1 inhibitors using regioselective Suzuki coupling; Preparation of dichroic fluorescent benzothiadiazole dyes.
Synonyms
(4-propoxyphenyl)boronic acid; (4-propoxyphenyl)boronic acid
IUPAC Name
(4-propoxyphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)OCCC)(O)O
InChI
InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key
SOKFEJKZYHYKSY-UHFFFAOYSA-N
Boiling Point
329.6 °C at 760 mmHg
Melting Point
123-126 °C (lit.)
Density
1.1 g/cm3
LogP
0.15520
Safety Information
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
180.0957744 g/mol
Monoisotopic Mass
180.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
133
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 |
|---|---|---|
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 2019-12-24 |
| WO-2021019051-A1 | Inhibitors of human atgl | 2019-07-30 |
| CA-3147471-A1 | Inhibitors of human atgl | 2019-07-30 |
| JP-2020125460-A | Method for producing stereoregular substituted polyacetylene having a substituent at the terminal | 2019-01-31 |
| KR-20200045430-A | Novel terphenyl-baseed amphiphiles and uses thereof | 2018-10-22 |
