4-Bromo-2,6-dimethylanisole

Base Information

• Chemical Name: 4-Bromo-2,6-dimethylanisole
• CAS No.: 14804-38-7
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• Hs Code.: 29093090
• European Community (EC) Number: 626-644-8
• NSC Number: 128395
• DSSTox Substance ID: DTXSID50299144
• Nikkaji Number: J268.482I
• Wikidata: Q72469551
• Mol file: 14804-38-7.mol

Synonyms:4-Bromo-2,6-dimethylanisole;14804-38-7;5-Bromo-2-methoxy-1,3-dimethylbenzene;5-Bromo-2-methoxy-m-xylene;Benzene, 5-bromo-2-methoxy-1,3-dimethyl-;MFCD00143259;1-bromo-3,5-dimethyl-4-methoxybenzene;2,6-dimethyl-4-bromoanisole;NSC128395;SCHEMBL363341;4-bromo-2,6-dimethyl-anisole;4-bro-mo-2,6-dimethyl anisole;DTXSID50299144;3,5-dimethyl-4-methoxybromobenzene;2,6-dimethyl-4-bromo-methoxybenzene;4-Bromo-2,6-dimethylanisole, 97%;AKOS000121359;CS-W014901;NSC-128395;PS-7944;BP-20267;SY022626;AM20060512;B3016;FT-0617744;EN300-21230;A808728;J-514619;J-640232;J-800233;Z104494704

Chemical Property of 4-Bromo-2,6-dimethylanisole

Chemical Property:

• Appearance/Colour: clear yellowish liquid
• Vapor Pressure: 0.0528mmHg at 25°C
• Refractive Index: n20/D 1.5450(lit.)
• Boiling Point: 242.432 °C at 760 mmHg
• Flash Point: 107.662 °C
• PSA: 9.23000
• Density: 1.326 g/cm³
• LogP: 3.07450
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2,6-dimethylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38-36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)Br

Technology Process of 4-Bromo-2,6-dimethylanisole

There total 16 articles about 4-Bromo-2,6-dimethylanisole 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%

2-methoxy-1,3-dimethylbenzene (1004-66-6) → 5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7)

Guidance literature:

With kaolin; sodium chlorite; manganese(III) acetylacetonate; sodium bromide; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1039/a804043e

Reference yield: 99.0%

4-bromo-2,6-dimethyl-phenol (2374-05-2) + methyl iodide (74-88-4) → 5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7)

Guidance literature:

4-bromo-2,6-dimethyl-phenol; With sodium hydride; In dimethyl sulfoxide; at 0 ℃; for 0.916667h; Inert atmosphere;

methyl iodide; In dimethyl sulfoxide; at 0 - 20 ℃; for 5.66667h; Inert atmosphere;

DOI:10.1021/jo101160c

Reference yield: 93.0%

4-bromo-2,6-dimethyl-phenol (2374-05-2) + dimethyl sulfate (77-78-1) → 5-bromo-2-methoxy-1,3-dimethylbenzene (14804-38-7)

Guidance literature:

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; In dichloromethane; water;

DOI:10.1016/S0040-4039(01)80296-3

upstream raw materials:

2-methoxy-1,3-dimethylbenzene

4-amino-2,6-dimethylanisole

4-bromo-2,6-dimethyl-phenol

dimethyl sulfate

Downstream raw materials:

5-(2,6-dimethyl-phenoxy)-2-methoxy-1,3-dimethyl-benzene

2,6-dimethyl-4-nitroanisole

4-methoxy-3,5-dimethylbenzoic acid

dibromo-3,4 dimethyl-2,6 anisole

Refernces

• 1、 Sookcharoenpinyo, Bunyarithi,Klein, Emmanuel,Ferrand, Yann,Walker, D. Barney,Brotherhood, Peter R.,Ke, Chenfeng,Crump, Matthew P.,Davis, Anthony P.. "High-affinity disaccharide binding by tricyclic synthetic lectins". supporting information; experimental part. p. 4586 - 4590. Retrieved 2012/06/30.
• 2、 Rajagopal,Jarikote,Lahoti,Daniel, Thomas,Srinivasan. "Ionic liquid promoted regioselective monobromination of aromatic substrates with N-bromosuccinimide". . p. 1815 - 1817. Retrieved 2007/10/03.