2,4,5-Tribromoanisole

Base Information

• Chemical Name: 2,4,5-Tribromoanisole
• CAS No.: 95970-10-8
• Molecular Formula: C7H5Br3O
• Molecular Weight: 344.828
• NSC Number: 134564
• DSSTox Substance ID: DTXSID401304439
• Nikkaji Number: J1.617.523D
• Mol file: 95970-10-8.mol

Synonyms:2,4,5-Tribromoanisole;95970-10-8;1,2,4-tribromo-5-methoxybenzene;NSC134564;DTXSID401304439;NSC-134564

Chemical Property of 2,4,5-Tribromoanisole

Chemical Property:

• Melting Point: 105°C
• Refractive Index: 1.5580 (estimate)
• Boiling Point: 307°C (rough estimate)
• PSA: 9.23000
• Density: 2.2119 (rough estimate)
• LogP: 3.98270
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 343.78700
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

2,4,5-Tribromoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1Br)Br)Br

Technology Process of 2,4,5-Tribromoanisole

There total 18 articles about 2,4,5-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: 62.0%

1-bromo-4-methoxy-benzene (104-92-7) → tetrabromobenzoquinone (488-48-2) + 2,4,5-tribromo-anisole (95970-10-8)

Guidance literature:

With potassium nitrate; potassium bromide; In water; trifluoroacetic acid; at 20 ℃; for 8h; Product distribution;

Reference yield: 1.12%

3-methoxyphenyl bromide (2398-37-0) → 2,4,5-tribromo-anisole (95970-10-8) + 3,4-dibromoanisole (62415-74-1) + 1,2-dibromo-3-methoxybenzene (95970-22-2)

Guidance literature:

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

DOI:10.1002/hlca.19830660410

Reference yield:

2-methoxyacetanilide (93-26-5) → 2,4,5-tribromo-anisole (95970-10-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / Br₂ / acetic acid

2: 73.6 percent / conc. HCl / ethanol / 3 h / Heating

3: 1.) aq. H₂SO₄, NaNO₂, 2.) Cu₂Br₂, conc. HBr; / 1.) acetic acid, 0 deg C, 30 min, 2.) 0 deg C, 30 min, 3.) from 0 deg C, to 100 deg C, 1.5 h;

With copper(I) bromide; hydrogenchloride; sulfuric acid; hydrogen bromide; bromine; sodium nitrite; In ethanol; acetic acid;

upstream raw materials:

diazomethane

2,4,5-tribromophenol

dimethyl sulfate

1-bromo-4-methoxy-benzene

Downstream raw materials:

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

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