3,5-bis-(Benzyloxy)benzyl bromide

Product Information

Molecular Formula:
C21H19BrO2
Molecular Weight:
383.28
Description
3,5-bis-(Benzyloxy)benzyl bromide, an essential compound harnessed in the production of diverse pharmaceuticals and agrochemicals, holds immense promise in combating ailments like cancer, inflammation, and infectious diseases.
Synonyms
3,5-bis-(Benzyloxy)benzyl bromide; 3,5-Dibenzyloxybenzyl bromide
IUPAC Name
1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
Canonical SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=CC=C3
InChI
InChI=1S/C21H19BrO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChI Key
WGMYJGAUAQXYFQ-UHFFFAOYSA-N
Boiling Point
504.3±45.0 °C(Predicted)
Melting Point
86-88
Purity
>98.0%(GC)(T)
Density
1.329±0.06 g/cm3 (20 ºC 760 Torr)
Appearance
White to Almost white powder to crystal
Storage
0-10℃

Safety Information

Hazards
H314
Precautionary Statement
P501 P260 P264 P280 P303 + P361 + P353 P301 + P330 + P331 P363 P304 + P340 + P310 P305 + P351 + P338 + P310 P405

Computed Properties

XLogP3
5.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
382.05684 g/mol
Monoisotopic Mass
382.05684 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
307
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
KR-20180066853-A anti-oxidant and anti-inflammatory agents comprising resveratrol analogues 2017-12-04
KR-101854829-B1 anti-oxidant and anti-inflammatory agents comprising resveratrol analogues 2016-12-09
CA-2936506-A1 Novel functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy 2014-01-13
EP-3094318-A2 Novel functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy 2014-01-13
EP-3094318-B1 Novel functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy 2014-01-13
JP-2017507119-A Novel functional 1,3-benzenediols and methods for their use to treat hepatic encephalopathy 2014-01-13
JP-6486950-B2 Novel functional 1,3-benzenediols and methods for their use to treat hepatic encephalopathy 2014-01-13
RU-2676475-C2 New functionalized 1,3-benzenediols and method for application thereof for treatment of hepatic encephalopathy 2014-01-13
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols 2014-01-13
US-2016311769-A1 Novel functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopthy 2014-01-13
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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