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

C₁₇H₂₄BClFNO₄CAS 1269440-69-8371.64 g/mol

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Aryl halide Boronic ester Carbamate

Properties

Molecular formula: C₁₇H₂₄BClFNO₄
Molar mass: 371.64 g/mol
Exact mass: 371.1471 Da
logP: 4.13Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1269440-69-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)NC(=O)OC(C)(C)C)Cl

InChIKey

CVZYUPSHMKRFAB-UHFFFAOYSA-N

InChI

InChI=1S/C17H24BClFNO4/c1-15(2,3)23-14(22)21-12-9-10(19)8-11(13(12)20)18-24-16(4,5)17(6,7)25-18/h8-9H,1-7H3,(H,21,22)

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Names and synonyms

1 names

Carbamic acid, N-[5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester

Work with tert-Butyl (5-chloro-2-fluoro-3-(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 [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-648 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-742 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-239 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-236 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-835 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-035 % similar Boc-3-aminobenzoic acid111331-82-934 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-934 % similar

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

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