4-(Methylsulfinyl)phenylboronic Acid - CAS 166386-48-7

Catalog:	BB012277
Product Name:	4-(Methylsulfinyl)phenylboronic Acid
CAS:	166386-48-7
Synonyms:	(4-methylsulfinylphenyl)boronic acid; (4-methylsulfinylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-methylsulfinylphenyl)boronic acid
Description:	4-(Methylsulfinyl)phenylboronic Acid (CAS# 166386-48-7) is used in preparation of Macrocyclic Mcl-1 inhibitors for the treatment of multiple Myeloma.
Molecular Weight:	184.02
Molecular Formula:	C7H9O3SB
Canonical SMILES:	B(C1=CC=C(C=C1)S(=O)C)(O)O
InChI:	InChI=1S/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:	YOTGALZTDVXUKZ-UHFFFAOYSA-N
Boiling Point:	445.5 °C at 760 mmHg
Flash Point:	Not applicable
Density:	1.39 g/cm³
MDL:	MFCD02093071
LogP:	-0.03050

Publication Number	Title	Priority Date
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
AU-2018318692-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
CA-3073114-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
EP-3668502-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
TW-201920193-A	Macrocyclic MEL-1 inhibitor and method of use	20170815

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[1967833-52-8]
4-(4-Piperidyl)phenylboronic Acid
[1646563-27-0]
Methyl 2-(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)acetate
[1799644-51-1]
B-spiro[9H-fluorene-9,9'-[9H]xanthen]-2-ylboronic acid

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0365455
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	184.0365455
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0