4-Bromo-1-butylboronic acid catechol ester
Product Information
Molecular Formula
C10H12BBrO2
Molecular Weight
254.92
Description
4-Bromo-1-butylboronic acid catechol ester is an indispensable foundational unit in the synthesis of pharmaceutical agents, spanning from malignancies to metabolic ailments and neural degenerative pathologies.
Synonyms
2-(4-Bromobutyl)-1,3,2-benzodioxaborole
IUPAC Name
2-(4-bromobutyl)-1,3,2-benzodioxaborole
SMILES
B1(OC2=CC=CC=C2O1)CCCCBr
InChI
InChI=1S/C10H12BBrO2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2
InChI Key
OCRCQJNMXARNMQ-UHFFFAOYSA-N
Flash Point
221.0 °F - closed cup
Purity
96%
Storage
2-8°C
Refractive Index
n20/D 1.536 (lit.)
Safety Information
Hazards
H314
Precautionary Statement
P280 - P305 + P351 + P338 - P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
254.01137 g/mol
Monoisotopic Mass
254.01137 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
166
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-2016037298-A1 | Method for the enantioselective synthesis of 2(s)-amino-6-boronohexanoic acid (abh) and purification thereof | 2014-09-11 |
| AU-2012326109-A1 | Inhibitors of arginase and their therapeutic applications | 2011-10-19 |
| CA-2852685-A1 | Inhibitors of arginase and their therapeutic application | 2011-10-19 |
| CA-2852685-C | Inhibitors of arginase and their therapeutic application | 2011-10-19 |
| EP-2768491-B1 | Inhibitors of arginase and their therapeutic applications | 2011-10-19 |
| JP-2014530866-A | Arginase inhibitors and their therapeutic use | 2011-10-19 |
| JP-5993459-B2 | Arginase inhibitors and their therapeutic use | 2011-10-19 |
| US-2014343019-A1 | Inhibitors of arginase and their therapeutic applications | 2011-10-19 |
| US-9266908-B2 | Inhibitors of arginase and their therapeutic applications | 2011-10-19 |
| AU-2011242794-A1 | Inhibitors of arginase and their therapeutic applications | 2010-04-22 |
