tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

C₁₇H₂₆BNO₄CAS 159624-15-4319.21 g/mol

Open in Covalent MOL file

Boronic ester Carbamate

Properties

Molecular formula: C₁₇H₂₆BNO₄
Molar mass: 319.21 g/mol
Exact mass: 319.1955 Da
logP: 3.33Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

159624-15-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C

InChIKey

LVHGGVGVAUJQBB-UHFFFAOYSA-N

InChI

InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)

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Names and synonyms

1 names

(2-Boc-aminophenyl)boronic acid, pinacol ester

Work with tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

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

tert-Butyl (5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate1269440-69-858 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-246 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-044 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-844 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-843 % similar 1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-043 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-243 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-943 % similar

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

Same formula

tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-6

Elsewhere

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