3,5-bis-(Benzyloxy)benzyl bromide

Inquiry

Molecular Formula:

C21H19BrO2

Molecular Weight:

383.28

CAS Number:

24131-32-6

Catalog Number:

24131-32-6

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 °C 760 Torr)

Appearance

White to Almost white powder to crystal

Storage

0-10°C

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

382.05684 g/mol

Monoisotopic Mass

382.05684 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

307

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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