1-Bromo-6-(trifluoromethyl)naphthalene

Base Information

• Chemical Name: 1-Bromo-6-(trifluoromethyl)naphthalene
• CAS No.: 117539-60-3
• Molecular Formula: C₁₁H₆BrF₃
• Molecular Weight: 275.068
• DSSTox Substance ID: DTXSID60695810
• Wikidata: Q82625133
• Mol file: 117539-60-3.mol

Synonyms:1-Bromo-6-(trifluoromethyl)naphthalene;117539-60-3;1-BROMO-6-TRIFLUOROMETHYL-NAPHTHALENE;C11H6BrF3;DTXSID60695810;5-Bromo-2-(trifluoromethyl)naphthalene;SB31017;CS-0341083

Chemical Property of 1-Bromo-6-(trifluoromethyl)naphthalene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 273.96050
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-6-trifluoromethyl-naphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)C(F)(F)F)C(=C1)Br

Technology Process of 1-Bromo-6-(trifluoromethyl)naphthalene

There total 3 articles about 1-Bromo-6-(trifluoromethyl)naphthalene 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: 48.0%

5-bromonaphthalene-2-carboxylic acid (1013-83-8) → 1-Bromo-6-trifluoromethyl-naphthalene (117539-60-3)

Guidance literature:

With sulfur tetrafluoride; In hydrogen fluoride; at 70 ℃; for 20h;

DOI:10.1016/S0022-1139(00)83023-7

Reference yield:

5-bromo-2-naphthalenecarboxylic acid methyl ester (67878-76-6) → 1-Bromo-6-trifluoromethyl-naphthalene (117539-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / 3 h / Heating

2: 48 percent / sulfur tetrafluoride / liquid HF / 20 h / 70 °C

With sodium hydroxide; sulfur tetrafluoride; In hydrogen fluoride;

DOI:10.1016/S0022-1139(00)83023-7

Reference yield:

naphthalene-2-carboxylate (93-09-4) → 1-Bromo-6-trifluoromethyl-naphthalene (117539-60-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) Br₂; 2.) H₂SO₄ / 2.) reflux, 5 h

2: aq. NaOH / 3 h / Heating

3: 48 percent / sulfur tetrafluoride / liquid HF / 20 h / 70 °C

With sodium hydroxide; sulfuric acid; sulfur tetrafluoride; bromine; In hydrogen fluoride;

DOI:10.1016/S0022-1139(00)83023-7

upstream raw materials:

5-bromonaphthalene-2-carboxylic acid

5-bromo-2-naphthalenecarboxylic acid methyl ester

naphthalene-2-carboxylate