4-Propylphenylboronic Acid - CAS 134150-01-9
Catalog: |
BB007881 |
Product Name: |
4-Propylphenylboronic Acid |
CAS: |
134150-01-9 |
Synonyms: |
(4-propylphenyl)boronic acid; (4-propylphenyl)boronic acid |
IUPAC Name: | (4-propylphenyl)boronic acid |
Description: | Reactant for: Palladium/carbon-catalyzed Suzuki coupling reactions; Preparation of biologically and pharmacologically active molecules. |
Molecular Weight: | 164.01 |
Molecular Formula: | C9H13O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CCC)(O)O |
InChI: | InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3 |
InChI Key: | WLCGYIWOKVWFLB-UHFFFAOYSA-N |
Boiling Point: | 299.1 °C / 760 mmHg |
Melting Point: | 89-97 °C (lit.) |
Purity: | 98 % |
Density: | 1.05 ± 0.1 g/mL (predicted) |
Appearance: | White to off-white powder |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD00859261 |
LogP: | 0.31890 |
GHS Hazard Statement: | H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112759504-A | Liquid crystal compound containing diacetylene structure, liquid crystal composition and application thereof | 20210122 |
CN-112851562-A | Aromatic ring liquid crystal compound, liquid crystal composition and application thereof | 20210122 |
CN-113493420-A | EGFR tyrosine kinase inhibitor and application thereof | 20200318 |
WO-2021185298-A1 | Egfr tyrosine kinase inhibitor and use thereof | 20200318 |
EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
PMID | Publication Date | Title | Journal |
22225633 | 20120201 | Design and synthesis of boronic acid inhibitors of endothelial lipase | Bioorganic & medicinal chemistry letters |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.1008598 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.1008598 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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