4-Methoxybenzyl bromide

Base Information

• Chemical Name: 4-Methoxybenzyl bromide
• CAS No.: 2746-25-0
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID50181878
• Nikkaji Number: J587.174C
• Wikidata: Q72489257
• Mol file: 2746-25-0.mol

Synonyms:4-Methoxybenzyl bromide;2746-25-0;1-(Bromomethyl)-4-methoxybenzene;p-Methoxybenzyl bromide;Benzene, 1-(bromomethyl)-4-methoxy-;1-Bromomethyl-4-methoxybenzene;1-bromomethyl-4-methoxy-benzene;1-(bromomethyl)-4-methoxy-benzene;4-Methoxybenzylbromide;PMBBr;4-bromomethylanisole;p-methoxybenzylbromide;4-(bromomethyl)anisol;4-methoxy benzylbromide;4-methoxy-benzylbromide;paramethoxybenzyl bromide;para-Methoxybenzylbromide;4-methoxy benzyl bromide;4-methoxy-benzyl bromide;para-methoxybenzyl bromide;4-(methoxy)benzyl bromide;SCHEMBL2883;4-methoxyphenyl methylbromide;1-bromomethyl 4-methoxy-benzene;DTXSID50181878;AMY28673;STR07127;AKOS000118048;AM81634;CS-W001082;4-Methoxybenzyl bromide, >=90% (GC);FT-0601823;A22356;4-Methoxybenzyl bromide (5% K2CO3 stabilizer);J-503512;1-(Bromomethyl)-4-methoxybenzene stabilized with K2CO3;1-(BROMOMETHYL)-4-METHOXYBENZENE(CONTAINS 5% POTASSIUM CARBONATE AS STABILIZER)

Chemical Property of 4-Methoxybenzyl bromide

Chemical Property:

• Vapor Pressure: 0.0553mmHg at 25°C
• Melting Point: 240 °C
• Refractive Index: n20/D 1.5780(lit.)
• Boiling Point: 241.6 °C at 760 mmHg
• Flash Point: 95.6 °C
• PSA: 9.23000
• Density: 1.406 g/cm³
• LogP: 2.59010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CBr
• Uses: 4-Methoxybenzyl Bromide is a useful reactant in studying diarylpyrazoles as cyclooxygenase 2 inhibitors.

Technology Process of 4-Methoxybenzyl bromide

There total 37 articles about 4-Methoxybenzyl bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-Methoxybenzyl alcohol (105-13-5) → p-Methoxybenzyl bromide (2746-25-0) + 4-methoxy-benzaldehyde (123-11-5)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide; In acetic acid; for 10h; Ambient temperature;

DOI:10.1021/jo9817164

Reference yield: 98.0%

p-methylanizole (104-93-8) → p-Methoxybenzyl bromide (2746-25-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In Diethyl carbonate; for 0.25h; Reflux; Microwave irradiation;

DOI:10.1039/c0gc00794c

Reference yield: 95.0%

p-methylanizole (104-93-8) → 2-bromo-4-methylanisole (22002-45-5) + p-Methoxybenzyl bromide (2746-25-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In various solvent(s); at 90 - 95 ℃; for 1h;

DOI:10.1055/s-2003-38379

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

p-methylanizole

dibenzoyl peroxide

Downstream raw materials:

N-(4-methoxybenzyl)pyridinium bromide

p-ethylanisole

1-methoxy-4-(3-methylbutyl)benzene

1,2-bis(4-methoxyphenyl)ethane

Refernces

• 1、 da Roza,D.A. et al.. "-". . p. 7003 - 7009. Retrieved 1973.
• 2、 -. "Indole-like derivatives and application thereof". Paragraph 0123-0124. . Retrieved 2021/05/08.
• 3、 Blacker, A. John,Francis, Daniel,Kapur, Nikil,Marsden, Stephen P.. "Readily Reconfigurable Continuous-Stirred Tank Photochemical Reactor Platform". supporting information. . Retrieved 2022/01/12.