(3-Methanesulfonylaminomethyl)benzeneboronic acid

CAS

850568-39-7

Catalog Number

ACM850568397

Category

Other Products

Molecular Weight

229.06

Molecular Formula

C₈H₁₂BNO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

850568-39-7, 3-[(Methylsulphonylamino)methyl]benzeneboronic acid, (3-(Methylsulfonamidomethyl)phenyl)boronic acid, (3-Methanesulfonylaminomethyl)phenylboronic acid, SureCN532278, CTK8B3983, MolPort-001-760-776, WT824, ANW-43599, OR1323, AKOS015893656, AB26386, AK-92352, KB-01548, 3-(methanesulfonamidomethyl)phenylboronic acid, (3-Methanesulfonylaminomethyl)phenylboronic acid,, [3-(methanesulfonamidomethyl)phenyl]boronic acid, [3-(methylsulfonylaminomethyl)phenyl]boronic acid, 3-METHANESULFONAMIDOMETHYLPHENYLBORONIC ACID, A841115

IUPAC Name

[3-(methanesulfonamidomethyl)phenyl]boronic acid

Canonical SMILES

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

InChI Key

FJSWJJOLFPIDER-UHFFFAOYSA-N

Boiling Point

470.3ºC at 760 mmHg

Melting Point

246-248ºC

Flash Point

238.3ºC

Density

1.36g/cm³

Exact Mass

229.05800

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

850568-39-7
1137278-60-4

1137278-77-3

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2009/42607, 2009, A1
Location in patent: Page/Page column 87

Downstream Synthesis Route 2

850568-39-7
1078734-14-1

1193525-29-9

Reference: [1]Location in patent: experimental part
Bey, Emmanuel; Marchais-Oberwinkler, Sandrine; Negri, Matthias; Kruchten, Patricia; Oster, Alexander; Klein, Tobias; Spadaro, Alessandro; Werth, Ruth; Frotscher, Martin; Birk, Barbara; Hartmann, Rolf W.
[Journal of Medicinal Chemistry, 2009, vol. 52, # 21, p. 6724 - 6743]

Downstream Synthesis Route 3

850568-39-7
1246372-52-0

1246372-87-1

Reference: [1]Current Patent Assignee: FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III ES - WO2010/112874, 2010, A1
Location in patent: Page/Page column 68

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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