3,5-Dibromoanisole

Base Information

• Chemical Name: 3,5-Dibromoanisole
• CAS No.: 74137-36-3
• Molecular Formula: C7H6Br2O
• Molecular Weight: 265.932
• Hs Code.: 2909309090
• European Community (EC) Number: 625-375-3
• DSSTox Substance ID: DTXSID20452264
• Nikkaji Number: J2.175.218E
• Wikidata: Q223005
• Mol file: 74137-36-3.mol

Synonyms:3,5-Dibromoanisole;74137-36-3;1,3-Dibromo-5-methoxybenzene;Benzene, 1,3-dibromo-5-methoxy-;MFCD02258848;1,3-dibromo-5-methoxy-benzene;3,5-dibromanisole;tetrahexylammoniumhydroxide;3,5-Dibromoanisole, 97%;SCHEMBL309832;1.3-Dibromo-5-methoxybenzene;DTXSID20452264;OQZAQBGJENJMHT-UHFFFAOYSA-N;CL8596;AKOS015834288;AC-3780;AM61638;CS-W007953;AS-15120;SY018763;A9521;D3364;FT-0612066;EN300-119345;Q223005;J-503885

Chemical Property of 3,5-Dibromoanisole

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.0358mmHg at 25°C
• Melting Point: 38-45 °C
• Refractive Index: 1.576
• Boiling Point: 249.7 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 9.23000
• Density: 1.823 g/cm³
• LogP: 3.22020
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 265.87649
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

98% ^*data from raw suppliers

3,5-Dibromoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)Br)Br

Technology Process of 3,5-Dibromoanisole

There total 20 articles about 3,5-Dibromoanisole 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%

3,5-dibromophenol (626-41-5) + methyl iodide (74-88-4) → 3,5-dibromoanisole (74137-36-3)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 16h;

DOI:10.1021/jacs.1c00529

Reference yield: 98.0%

1,3,5-trisbromobenzene (626-39-1) + sodium methylate (124-41-4) → 3,5-dibromoanisole (74137-36-3)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃; for 12h;

DOI:10.1021/jo049228l

Reference yield: 96.0%

2,6-dibromo-4-methoxyaniline (95970-05-1) → 3,5-dibromoanisole (74137-36-3)

Guidance literature:

With sulfuric acid; hypophosphorous acid; sodium nitrite; In toluene; at 0 ℃; for 4.5h;

upstream raw materials:

1,3,5-trisbromobenzene

sodium methylate

2,4-dibromo-6-methoxyaniline

3,5-dibromophenol

Downstream raw materials:

3,5-dideuterioanisole

5-methoxyisophthalonitrile

3-bromo-5-methoxybenzaldehyde

1-bromo-3-iodo-5-methoxybenzene

Refernces

• 1、 Bobylev, Eduard. O.,De Bruin, Bas,Reek, Joost N. H.. "Catalytic Formation of Coordination-Based Self-Assemblies by Halide Impurities". . p. 12498 - 12505. Retrieved 2021.
• 2、 -. "Amphipathic rhombic supramolecular metal macrocycle as well as preparation method and application thereof (by machine translation)". Paragraph 0052-0054; 0061-0062. . Retrieved 2021/01/11.