4-Cyclopropylphenylboronic Acid
Product Information
Molecular Formula
C9H11O2B
Molecular Weight
161.99
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.
Synonyms
(4-cyclopropylphenyl)boronic acid; (4-cyclopropylphenyl)boronic acid
IUPAC Name
(4-cyclopropylphenyl)boronic acid
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
LogP
0.24380
Safety Information
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
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
162.0852098 g/mol
Monoisotopic Mass
162.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
149
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 |
|---|---|---|
| WO-2021252859-A1 | Inhibitors of apol1 and use of the same | 2020-06-12 |
| WO-2021226206-A2 | Cannabinoid receptor type 2 (cb2) modulators and uses thereof | 2020-05-05 |
| WO-2021214136-A1 | Rsv inhibiting 3-substituted quinoline and cinnoline derivatives | 2020-04-21 |
| WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 2019-12-24 |
| WO-2021012717-A1 | Antitumor compound used as axl inhibitor and use thereof | 2019-07-19 |
| WO-2020242245-A1 | Phthalazinone compounds and use thereof | 2019-05-29 |
| CN-113840820-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| KR-20210137216-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| WO-2020010309-A1 | Triazole glycolate oxidase inhibitors | 2018-07-06 |
| AU-2019297523-A1 | Triazole glycolate oxidase inhibitors | 2018-07-06 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4624 | 1976-03-18 | Regulation of cell volume and ion concentrations in a Halobacterium | The Journal of membrane biology |
| 4946 | 1976-01-01 | Policy statement on the changeover to Système International (SI) in Acta anaesthesiological Scandinavica | Acta anaesthesiologica Scandinavica |
| 1775 | 1975-11-18 | Freezing and freeze-drying | Proceedings of the Royal Society of London. Series B, Biological sciences |
