4-Propoxyphenylboronic Acid - CAS 186497-67-6
Catalog: |
BB014328 |
Product Name: |
4-Propoxyphenylboronic Acid |
CAS: |
186497-67-6 |
Synonyms: |
(4-propoxyphenyl)boronic acid; (4-propoxyphenyl)boronic acid |
IUPAC Name: | (4-propoxyphenyl)boronic acid |
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. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13O3B |
Canonical 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 |
MDL: | MFCD03427189 |
LogP: | 0.15520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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