4-Cyclopropylphenylboronic Acid - CAS 302333-80-8
Catalog: |
BB020494 |
Product Name: |
4-Cyclopropylphenylboronic Acid |
CAS: |
302333-80-8 |
Synonyms: |
(4-cyclopropylphenyl)boronic acid; (4-cyclopropylphenyl)boronic acid |
IUPAC Name: | (4-cyclopropylphenyl)boronic acid |
Description: | 4-Cyclopropylphenylboronic Acid (CAS# 302333-80-8) is an intermediate used to prepare substituted indoles as PPAR-γ binding agents. It is also used in the synthesis of thienopyrimidine bisphosphonate inhibitors of farnesyl pyrophosphate synthase for potential bone resorption treatment. |
Molecular Weight: | 161.99 |
Molecular Formula: | C9H11O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)C2CC2)(O)O |
InChI: | InChI=1S/C9H11BO2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7,11-12H,1-2H2 |
InChI Key: | YNLGFXOBRXSMJZ-UHFFFAOYSA-N |
Boiling Point: | 320.3 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.17 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01309064 |
LogP: | 0.24380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, 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 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021012717-A1 | Antitumor compound used as axl inhibitor and use thereof | 20190719 |
WO-2020242245-A1 | Phthalazinone compounds and use thereof | 20190529 |
WO-2020010309-A1 | Triazole glycolate oxidase inhibitors | 20180706 |
AU-2019297523-A1 | Triazole glycolate oxidase inhibitors | 20180706 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0852098 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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