2,3,4-Trimethoxyphenylboronic Acid - CAS 118062-05-8

Catalog:	BB004047
Product Name:	2,3,4-Trimethoxyphenylboronic Acid
CAS:	118062-05-8
Synonyms:	(2,3,4-trimethoxyphenyl)boronic acid; (2,3,4-trimethoxyphenyl)boronic acid

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	(2,3,4-trimethoxyphenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura cross-coupling reactions.
Molecular Weight:	212.01
Molecular Formula:	C9H13O5B
Canonical SMILES:	B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O
InChI:	InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
InChI Key:	LDQLSQRFSNMANA-UHFFFAOYSA-N
Boiling Point:	371.1 °C at 760 mmHg
Melting Point:	74-79 °C (lit.)
Density:	1.21 g/cm³
Appearance:	White powder
Storage:	2-8 °C
MDL:	MFCD01318183
LogP:	-0.60780

Publication Number	Title	Priority Date
CN-108467370-A	Triazole naphthoquinones biarylï¼ˆIt is miscellaneousï¼‰Ring derivatives	20171129
US-2020071274-A1	8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome	20170303
JP-2016056131-A	Method for producing carbon-carbon coupling product using solid catalyst	20140910
EP-3118204-A1	O-phenyl chalcone compound and preparation method and use thereof	20140123
US-2016333033-A1	O-Phenyl Chalcone Compounds And Preparation Method And Use Thereof	20140123

PMID	Publication Date	Title	Journal
20936789	20101111	Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization	Journal of medicinal chemistry

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Related Functional Groups

Boronic Acids and Esters

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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

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0856037
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.0856037
Rotatable Bond Count:	4
Topological Polar Surface Area:	68.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0