(3-Phenylpropyl)boronic Acid Pinacol Ester - CAS 329685-40-7

Catalog:	BB021499
Product Name:	(3-Phenylpropyl)boronic Acid Pinacol Ester
CAS:	329685-40-7
Synonyms:	4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
Description:	(3-Phenylpropyl)boronic Acid Pinacol Ester (CAS# 329685-40-7) is a useful research chemical.
Molecular Weight:	246.15
Molecular Formula:	C15H23O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CCCC2=CC=CC=C2
InChI:	InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChI Key:	HRZOKAQQKKQUME-UHFFFAOYSA-N
MDL:	MFCD09953505
LogP:	3.71140

Publication Number	Title	Priority Date
JP-2019535695-A	Method for producing triarylorganoborate	20161109
JP-2020512274-A	Method for producing triaryl organoborate	20161109
TW-201833122-A	Method for preparing triaryl organic borate	20161109
US-2019276479-A1	Process for the production of triaryl organoborates	20161109
EP-3538534-B1	Process for the manufacturing of triaryl-alkyl borates	20161109

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Related Functional Groups

Boronic Acids and Esters

[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.1791101
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.1791101
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0