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
Canonical 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
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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