2,6-Diisopropylphenylboronic Acid - CAS 363166-79-4

Name: 2,6-Diisopropylphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022935
Product Name:	2,6-Diisopropylphenylboronic Acid
CAS:	363166-79-4
Synonyms:	[2,6-di(propan-2-yl)phenyl]boronic acid; [2,6-di(propan-2-yl)phenyl]boronic acid

Technical Data

IUPAC Name:	[2,6-di(propan-2-yl)phenyl]boronic acid
Description:	Reactant for: Synthesis of selective inhibitors of dihydrofolate reductase from Cryptosporidium; Synthesis of a boro aluminoxane capable of activating a zirconocene ethene polymerization catalyst.
Molecular Weight:	206.09
Molecular Formula:	C12H19O2B
Canonical SMILES:	B(C1=C(C=CC=C1C(C)C)C(C)C)(O)O
InChI:	InChI=1S/C12H19BO2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15/h5-9,14-15H,1-4H3
InChI Key:	UPXGMXMTUMCLGD-UHFFFAOYSA-N
Melting Point:	167-172 °C
Flash Point:	Not applicable
Appearance:	White to beige powder or solid
LogP:	1.61320

Publication Number	Title	Priority Date
US-2021257557-A1	Organic electroluminescent materials and devices	20200203
WO-2021041671-A1	Kras g12d inhibitors	20190829
US-2021066598-A1	Organic electroluminescent materials and devices	20190828
CN-112062788-A	Organic electroluminescent material and device	20190610
EP-3750897-A1	Organic electroluminescent materials and devices	20190610

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.14781
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.14781
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0