4-(Hydroxymethyl)benzeneboronic acid pinacol ester

C₁₃H₁₉BO₃CAS 302348-51-2234.10 g/mol

Open in Covalent MOL file

Alcohol Boronic ester

Properties

Molecular formula: C₁₃H₁₉BO₃
Molar mass: 234.10 g/mol
Exact mass: 234.1427 Da
logP: 1.48Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

302348-51-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO

InChIKey

GZZBZWITJNATOD-UHFFFAOYSA-N

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol

Work with 4-(Hydroxymethyl)benzeneboronic acid pinacol ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-167 % similar 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane138500-85-364 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-860 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-359 % similar 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile138500-86-458 % similar Phenylacetic acid-4-boronic acid pinacol ester797755-07-858 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-856 % similar Phenylboronic acid pinacol ester24388-23-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-7 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-4 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-5 (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol443776-76-9

Elsewhere

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