2,4,6-Tribromoanisole

Base Information

• Chemical Name: 2,4,6-Tribromoanisole
• CAS No.: 607-99-8
• Molecular Formula: C7H5Br3O
• Molecular Weight: 344.828
• Hs Code.: 2909309090
• European Community (EC) Number: 627-908-5
• NSC Number: 2218
• UNII: DO7M3M4LX5
• DSSTox Substance ID: DTXSID1060558
• Nikkaji Number: J134.582F
• Wikipedia: 2,4,6-Tribromoanisole
• Wikidata: Q4596770
• Mol file: 607-99-8.mol

Synonyms:2,4,6-tribromoanisole;TBA cpd

Chemical Property of 2,4,6-Tribromoanisole

Chemical Property:

• Vapor Pressure: 0.00231mmHg at 25°C
• Melting Point: 84-88 °C(lit.)
• Refractive Index: 1.607
• Boiling Point: 298 °C at 760 mmHg
• Flash Point: 121.5 °C
• PSA: 9.23000
• Density: 2.128 g/cm³
• LogP: 3.98270
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 343.78700
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Tribromoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Br)Br)Br
• Uses: 2,4,6-Tribromoanisole is suitable reagent used for the determination of 2,4,6-tribromoanisole in packaging materials and food by an analytical method based on multipleion detection GC-MS. 2,4,6-Tribromoanisole is haloanisole often present in wine. 2,4,6-Tribromoanisole is one of the main agent responsible for the musty odor in wine sample

Technology Process of 2,4,6-Tribromoanisole

There total 20 articles about 2,4,6-Tribromoanisole 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: 83.0%

dimethyl sulfate (77-78-1) + 2,4,6-tribromophenol (118-79-6) → 2,4,6-tribromoanisole (607-99-8)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1080/00304940709458594

Reference yield: 77.0%

methoxybenzene (100-66-3) → 2,4,6-tribromoanisole (607-99-8)

Guidance literature:

With dibromamine-T; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1080/00397911.2014.956367

Reference yield: 58.5%

2,4,6-tribromophenol (118-79-6) + methyl iodide (74-88-4) → 2,4,6-tribromoanisole (607-99-8)

Guidance literature:

With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 1h; Ambient temperature;

upstream raw materials:

diazomethane

2,4,6-tribromophenol

methanol

2,4-dibromoanisole

Downstream raw materials:

5-bromo-2-methoxyisophthalic acid

2,4,6-tribromo-3-nitro-anisole

2,4,6-tribromo-3,5-dinitro-anisole

2,4,6-triphenylphenol

Refernces

• 1、 Saikia, Indranirekha,Chakraborty, Pranita,Sarma, Manas Jyoti,Goswami, Mridusmita,Phukan, Prodeep. "Rapid and total bromination of aromatic compounds using TsNBr2 without any catalyst". . p. 211 - 217. Retrieved 2015/10/29.
• 2、 Shishkin, V. N.,Lapin, K. K.,Tanaseichuk, B. S.,Butin, K. P.. "POLYBROMINATED AROMATIC COMPOUNDS. IV. METHOXYDEBROMINATION REACTIONS OF POLYBROMOBENZENES IN PYRIDINE". . p. 516 - 522. Retrieved 2007/10/02.