3-(tert-Butyldimethylsilyloxy)phenylboronic Acid

C₁₂H₂₁BO₃SiCAS 261621-12-9252.19 g/mol

Open in Covalent MOL file

Boronic acid Silyl ether

Properties

Molecular formula: C₁₂H₂₁BO₃Si
Molar mass: 252.19 g/mol
Exact mass: 252.1353 Da
logP: 1.75Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

261621-12-9

SMILES

B(C1=CC(=CC=C1)O[Si](C)(C)C(C)(C)C)(O)O

InChIKey

RDQWADDNQONTLB-UHFFFAOYSA-N

InChI

InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-7-10(9-11)13(14)15/h6-9,14-15H,1-5H3

Weigh it out

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

Names and synonyms

1 names

3-(T-Butyldimethylsilyloxy)phenylboronic acid

Work with 3-(tert-Butyldimethylsilyloxy)phenylboronic Acid

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

(3-Methoxyphenyl)boronic acid10365-98-753 % similar 3-Propoxyphenylboronic acid149557-18-650 % similar 3-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)179113-90-749 % similar 3-Isopropoxybenzeneboronic acid216485-86-849 % similar 3-Butoxyphenylboronic acid352534-81-748 % similar 3-(Trimethylsilyl)phenylboronic acid177171-16-345 % similar 1,3-Benzenediboronic acid4612-28-644 % similar 3-Benzyloxyphenylboronic acid156682-54-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)159191-56-7

Elsewhere

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