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
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
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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