3-Isopropoxyphenylboronic acid

Product Information

Molecular Formula:
C9H13O3B
Molecular Weight:
180.01
Description
Reactant for synthesis of:• Heteroaryl benzylureas with glycogen synthase kinase 3 (GSK-3) inhibitory activity• Modulators of survival motor neuron (SMN) protein• Inhibitors of cholesteryl ester transfer protein (CETP)• Selective sphingosine-1-phosphate receptor subtype-1 agonists• Cytotoxic open lactone analogs of Lamellarin D
Synonyms
3-ISOPROPOXYPHENYLBORONIC ACID; 3-ISOPROPOXYBENZENEBORONIC ACID; AKOS BRN-0711; 3-isopropoxyphenylboronicaicd; 3-Isopropoxyphebylboronic acid; 3-Isopropoxybenzeneboronic acid 97%
IUPAC Name
(3-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)OC(C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key
UKZVUHVNTYDSOP-UHFFFAOYSA-N
Boiling Point
331.5°C at 760mmHg
Melting Point
76-81°C
Purity
98%
Density
1.1g/cm3
Appearance
White to gray powder

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
180.0957744 g/mol
Monoisotopic Mass
180.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
150
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113880714-A Synthesis method of carbonyl alpha-position monomethyl substituted compound 2021-09-30
CN-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 2021-08-23
CN-112574216-A Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
CN-112574216-B Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
JP-2022022902-A Compound with fluorene skeleton 2020-07-10
WO-2021088787-A1 Quinazoline compound used as axl inhibitor 2019-11-07
JP-2021031401-A Compounds having a fluorene skeleton and methods for producing them 2019-08-19
WO-2020226126-A1 Compound having fluorene skeleton and method for producing same 2019-05-09
JP-2020186220-A Compounds having a fluorene skeleton and methods for producing them 2019-05-09
TW-202104147-A Compound with 茀 frame and its manufacturing method 2019-05-09
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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