2-Bromo-4-methylanisole

Base Information

• Chemical Name: 2-Bromo-4-methylanisole
• CAS No.: 22002-45-5
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2909309090
• European Community (EC) Number: 244-705-3
• UNII: HUX4EC3EUD
• DSSTox Substance ID: DTXSID5066746
• Nikkaji Number: J32.079J
• Wikidata: Q72446504
• Mol file: 22002-45-5.mol

Synonyms:3-Bromo-4-methoxytoluene;22002-45-5;2-Bromo-4-methylanisole;2-Bromo-1-methoxy-4-methylbenzene;Anisole, 2-bromo-4-methyl-;HUX4EC3EUD;Benzene, 2-bromo-1-methoxy-4-methyl-;MFCD00017783;4-methyl-2-bromoanisole;Benzene,2-bromo-1-methoxy-4-methyl-;UNII-HUX4EC3EUD;2-Bromo-4-methyl anisole;3-bromo-4-methoxy toluene;SCHEMBL332885;2-bromo-4-methylmethoxybenzene;DTXSID5066746;2-Bromo-4-methylanisole, 97%;2-bromo-1-methoxy-4-methybenzene;EINECS 244-705-3;2-bromo-1-methoxy-4-methyl benzene;2-bromo-1-methoxy-4-methyl-benzene;AC1540;AKOS000262223;AM83055;CS-W015569;PS-8207;AC-25922;SY032235;1-BROMO-2-METHOXY-5-METHYLBENZENE;B3032;FT-0615165;EN300-65443;A19654;J-014413;F3145-2207

Chemical Property of 2-Bromo-4-methylanisole

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.114mmHg at 25°C
• Melting Point: 15.5 °C(lit.)
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 227.881 °C at 760 mmHg
• Flash Point: 102.873 °C
• PSA: 9.23000
• Density: 1.378 g/cm³
• LogP: 2.76610
• Storage Temp.: Room temperature.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4-methylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)Br
• Uses: 2-Bromo-4-methylanisole may be used in the synthesis of:1,6-bis(2-hydroxy-5-methylphenyl)pyridine (H2mdppy)1,8-dimethoxy-4-methylanthra-quinoneethyl 2-(2-methoxy-5-methylphenyl)-2-methyl-4-oxocyclopentanecarboxylateIt may be used as starting material in the multi-step synthesis of sesquiterpene (±)-herbertenolide.

Technology Process of 2-Bromo-4-methylanisole

There total 21 articles about 2-Bromo-4-methylanisole 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: 100.0%

p-methylanizole (104-93-8) → 2-bromo-4-methylanisole (22002-45-5)

Guidance literature:

With (CH₃)4Br; In liquid sulphur dioxide; at -23 ℃; Rate constant;

DOI:10.1002/hlca.19830660410

Reference yield: 98.0%

2-bromo-p-cresol (6627-55-0) + methyl iodide (74-88-4) → 2-bromo-4-methylanisole (22002-45-5)

Guidance literature:

With potassium carbonate; In acetone; at 50 ℃; for 12h;

DOI:10.1016/S0040-4020(99)00495-0

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:

N-Bromosuccinimide

p-methylanizole

acetic acid

2-bromo-p-cresol

Downstream raw materials:

4-methoxy-3-p-tolyloxy-toluene

4-Methyl-N,N-dimethylamino-phenyl-methyl-aether

3-bromo-4-methoxybenzoic acid

5-methoxy-o-toluidine