4-(tert-Butoxycarbonyl)phenylboronic acid

C₁₁H₁₅BO₄CAS 850568-54-6222.05 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₁₁H₁₅BO₄
Molar mass: 222.05 g/mol
Exact mass: 222.1063 Da
logP: 0.32Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

850568-54-6

SMILES

B(C1=CC=C(C=C1)C(=O)OC(C)(C)C)(O)O

InChIKey

QMVMDYSTJSUDKC-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7,14-15H,1-3H3

Weigh it out

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

Names and synonyms

1 names

(4-((tert-Butoxy)carbonyl)phenyl)boronic acid

Work with 4-(tert-Butoxycarbonyl)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

1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-863 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-363 % similar 4-Methoxycarbonylphenylboronic acid99768-12-463 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-860 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-659 % similar tert-Butyl 4-iodobenzoate120363-13-558 % similar tert-Butyl 4-aminobenzoate18144-47-358 % similar 4-Ethoxycarbonylphenylboronic acid4334-88-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)182281-01-2 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-0 (3-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid913835-82-2

Elsewhere

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