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N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Name: N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C15H22BNO3

Molecular Weight:

275.15

Product Information

Molecular Formula:

C15H22BNO3

Molecular Weight:

275.15

Description

N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is a biomedical compound that is widely used in drug research in cancer, inflammation disease and drug delivery.

Synonyms

3-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester; 3-(Dimethylcarbamoyl)benzeneboronic acid pinacol ester; N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-(dimethylcarbamoyl)benzeneboronic acid, pinacol ester; 3-(n,n-dimethylaminocarbonyl)phenyl boronic acid, pinacol ester; 3-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester; n,n-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide; N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

IUPAC Name

N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Canonical SMILES

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

InChI

InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(18)17(5)6/h7-10H,1-6H3

InChI Key

CHLGBYJEMLCJJJ-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H317

Precautionary Statement

P280

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

275.1692737 g/mol

Monoisotopic Mass

275.1692737 g/mol

Topological Polar Surface Area

38.8Å²

Heavy Atom Count

Formal Charge

Complexity

365

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
EP-3426260-A1	C-glycoside compounds useful for treating disease	2016-03-11
US-2020002303-A1	C-glycoside compounds useful for treating disease	2016-03-11
WO-2017156508-A1	C-glycoside compounds useful for treating disease	2016-03-11
EP-3359532-A1	Biaryl pyrazoles as nrf2 regulators	2015-10-06
JP-2018529745-A	Biarylpyrazoles as NRF2 regulators	2015-10-06
US-10364256-B2	Biaryl pyrazoles as NRF2 regulators	2015-10-06
US-2018282349-A1	Biaryl pyrazoles as nrf2 regulators	2015-10-06
WO-2017060854-A1	Biaryl pyrazoles as nrf2 regulators	2015-10-06
US-10266532-B2	Tricyclic modulators of TNF signaling	2015-04-17
US-2016304517-A1	Tricyclic modulators of tnf signaling	2015-04-17