N-Boc-3-aminophenylboronic Acid

Inquiry

Molecular Formula:

C11H16NO4B

Molecular Weight:

237.06

CAS Number:

380430-68-2

Catalog Number:

380430-68-2

Product Information

Molecular Formula:

C11H16NO4B

Molecular Weight:

237.06

Description

Reactant for: Rhodium-catalyzed cross-coupling; Pd-catalyzed Suzuki-Miyaura coupling.

Synonyms

[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid; [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid

IUPAC Name

[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

InChI Key

CWLNHPXWZRALFS-UHFFFAOYSA-N

Melting Point

168 °C (dec.) (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.18 g/cm³

Appearance

Solid

LogP

0.78640

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

237.1172382 g/mol

Monoisotopic Mass

237.1172382 g/mol

Topological Polar Surface Area

78.8Å²

Heavy Atom Count

Formal Charge

Complexity

265

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114188658-A	Thin film, preparation method thereof and battery	2021-11-15
WO-2021243015-A1	Antibacterial compounds	2020-05-27
WO-2021236885-A1	Piperidine-2,6-diones as small molecule degraders of helios and methods of use	2020-05-21
WO-2021147953-A1	Pyrimido five-membered ring derivative and application thereof	2020-01-21
WO-2021065980-A1	Bet degrader	2019-09-30
TW-202126638-A	BET decomposer	2019-09-30
WO-2020236654-A1	Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof	2019-05-17
US-2021053986-A1	Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof	2019-05-17
AU-2020278592-A1	Cyano cyclobutyl compounds for Cbl-b inhibition and uses thereof	2019-05-17
CN-114206855-A	Cyanocyclobutyl compounds for Cbl-b inhibition and uses thereof	2019-05-17

Literatures

PMID	Publication Date	Title	Journal
21533876	2012-01-01	Optimal phenotypic testing of AmpC beta-lactamases using boronic acid solutions	European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology
20710065	2010-08-11	Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids	Antiviral chemistry & chemotherapy

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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