5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID
Product Information
Molecular Formula
C10H15BO3
Molecular Weight
194.04
Description
Reactant involved in the synthesis of many biologically active molecules including:• Oxazolidinones for use as cholesteryl ester transfer protein inhibitors for atherosclerosis treatment• Selective quinazolinyl-phenol inhibitors of CHK1 as antitumor and radioprotectants• Biaryl-containing carbamates as CETP inhibitors• α -Sulfone hydroxamates as MMP inhibitorsReactant involved in Suzuki-Miyaura cross coupling with 2-nitroarenediazonium tetrafluoroborate for synthesis of 2-nitrobiphenyls
Synonyms
RARECHEM AH PB 0083; 5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID; 5-ISOPROPYL-2-METHOXYPHENYLBORONIC ACID; AKOS BRN-0316; 5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID, 98+%
IUPAC Name
(2-methoxy-5-propan-2-ylphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
InChI
InChI=1S/C10H15BO3/c1-7(2)8-4-5-10(14-3)9(6-8)11(12)13/h4-7,12-13H,1-3H3
InChI Key
UTKAEAGLVJFBMK-UHFFFAOYSA-N
Boiling Point
350°C at 760mmHg
Melting Point
85-87°C
Flash Point
Not applicable
Purity
95%
Density
1.08g/cm3
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
173
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
