4-Ethylphenylboronic Acid - CAS 63139-21-9

Catalog:	BB032025
Product Name:	4-Ethylphenylboronic Acid
CAS:	63139-21-9
Synonyms:	(4-ethylphenyl)boronic acid; (4-ethylphenyl)boronic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	(4-ethylphenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura cross-coupling reactions.
Molecular Weight:	149.98
Molecular Formula:	C8H11O2B
Canonical SMILES:	B(C1=CC=C(C=C1)CC)(O)O
InChI:	InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:	RZCPLOMUUCFPQA-UHFFFAOYSA-N
Boiling Point:	285.1 °C / 760 mmHg
Melting Point:	150-155 °C (lit.)
Flash Point:	Not applicable
Density:	1.07 g/cm³
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD00859377
LogP:	-0.07120

Publication Number	Title	Priority Date
CN-113214137-A	Aryl ketone peptide deformylase inhibitor and application thereof in antibacterial and antitumor aspects	20210519
CN-112480160-A	Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative	20201020
CN-113493437-A	Compound containing benzimidazole structure and preparation method and application thereof	20200403
WO-2021196655-A1	Compound containing benzimidazole structure, preparation method therefor and application thereof	20200403
CN-111362805-A	Method for synthesizing biphenyl compounds by taking phenol as raw material	20200316

PMID	Publication Date	Title	Journal
22225633	20120201	Design and synthesis of boronic acid inhibitors of endothelial lipase	Bioorganic & medicinal chemistry letters
21378917	20090901	Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones	Nature chemistry

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
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2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
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2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
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3,5-Dicarboxyphenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0852098
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0852098
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0