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
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 |
