2-Isopropoxyphenylboronic Acid

Product Information

Molecular Formula:
C9H13O3B
Molecular Weight:
180.01
Description
Reactant for: Suzuki arylation; Palladium-catalyzed Suzuki-Miyaura reaction.
Synonyms
(2-propan-2-yloxyphenyl)boronic acid; (2-propan-2-yloxyphenyl)boronic acid
IUPAC Name
(2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1OC(C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7,11-12H,1-2H3
InChI Key
XDMKBIIRBDPSOE-UHFFFAOYSA-N
Boiling Point
199 °C (lit.)
Melting Point
30-35 °C (lit.)
Flash Point
230.0 °F - closed cup
Density
1.075 g/mL at 25 °C (lit.)
Appearance
Off-white solid
Storage
Keep in dark place, Sealed in dry, Room Temperature
Refractive Index
n20/D >1.5090 (lit.)
LogP
0.15360

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

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
WO-2021088787-A1 Quinazoline compound used as axl inhibitor 2019-11-07
WO-2021041671-A1 Kras g12d inhibitors 2019-08-29
CN-110483571-B (1- (substituted phenyl) acenaphthenyl) -bis (3, 5-bis (trifluoromethyl)) phenylphosphine compound and preparation method thereof 2019-07-24
CN-112094266-A Pyrrolopyridinone compound, preparation method, composition and application thereof 2019-06-17
WO-2020253711-A1 Pyrrolopyridone compound, preparation method therefor, and composition and use thereof 2019-06-17
WO-2020151589-A1 Acylamino bridged heterocyclic compound, and composition and application thereof 2019-01-25
TW-202041507-A Amido bridged heterocyclic compound, and composition and application thereof 2019-01-25
AU-2020210455-A1 Acylamino bridged heterocyclic compound, and composition and application thereof 2019-01-25
CA-3127701-A1 Acylamino bridged heterocyclic compound, and composition and application thereof 2019-01-25
CN-113166116-A Amido bridged heterocyclic compound, and composition and application thereof 2019-01-25
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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