2-Isopropoxyphenylboronic Acid - CAS 138008-97-6

Name: 2-Isopropoxyphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008695
Product Name:	2-Isopropoxyphenylboronic Acid
CAS:	138008-97-6
Synonyms:	(2-propan-2-yloxyphenyl)boronic acid; (2-propan-2-yloxyphenyl)boronic acid

Technical Data

IUPAC Name:	(2-propan-2-yloxyphenyl)boronic acid
Description:	Reactant for: Suzuki arylation; Palladium-catalyzed Suzuki-Miyaura reaction.
Molecular Weight:	180.01
Molecular Formula:	C9H13O3B
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
MDL:	MFCD03427050
LogP:	0.15360
Refractive Index:	n20/D >1.5090 (lit.)

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Publication Number	Title	Priority Date
WO-2021088787-A1	Quinazoline compound used as axl inhibitor	20191107
WO-2021041671-A1	Kras g12d inhibitors	20190829
CN-110483571-B	(1- (substituted phenyl) acenaphthenyl) -bis (3, 5-bis (trifluoromethyl)) phenylphosphine compound and preparation method thereof	20190724
CN-112094266-A	Pyrrolopyridinone compound, preparation method, composition and application thereof	20190617
WO-2020253711-A1	Pyrrolopyridone compound, preparation method therefor, and composition and use thereof	20190617

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0957744
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.0957744
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0