2,3-Dimethoxybenzotrifluoride

Base Information

• Chemical Name: 2,3-Dimethoxybenzotrifluoride
• CAS No.: 1261673-36-2
• Molecular Formula: C₉H₉F₃O₂
• Molecular Weight: 206.164
• DSSTox Substance ID: DTXSID00576992
• Wikidata: Q82466894
• Mol file: 1261673-36-2.mol

Synonyms:2,3-Dimethoxybenzotrifluoride;1261673-36-2;1,2-dimethoxy-3-(trifluoromethyl)benzene;SCHEMBL10451316;DTXSID00576992;JUIJOGIBDMYFSG-UHFFFAOYSA-N

Chemical Property of 2,3-Dimethoxybenzotrifluoride

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 206.05546401
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C(F)(F)F

Technology Process of 2,3-Dimethoxybenzotrifluoride

There total 3 articles about 2,3-Dimethoxybenzotrifluoride 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:

(2,3-dimethoxyphenyl)boronic acid (40972-86-9) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1,2-dimethoxy-3-(trifluoromethyl)benzene (1261673-36-2)

Guidance literature:

With potassium fluoride; potassium phosphate; 1,10-Phenanthroline; copper(I) trifluoromethanesulfonate benzene; silver carbonate; In N,N-dimethyl-formamide; at 45 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol202174a

Reference yield:

1,2-dimethoxybenzene (91-16-7) + iodotrifluoromethane (2314-97-8,263005-66-9) → 1,2-dimethoxy-4-(trifluoromethyl)benzene (1261835-37-3) + 1,2-dimethoxy-3-(trifluoromethyl)benzene (1261673-36-2)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; In water; dimethyl sulfoxide; at 85 ℃; for 0.333333h;

DOI:10.1021/ol202174a

Reference yield:

1,2-dimethoxybenzene (91-16-7) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1,2-dimethoxy-4-(trifluoromethyl)benzene (1261835-37-3) + 1,2-dimethoxy-3-(trifluoromethyl)benzene (1261673-36-2)

Guidance literature:

With potassium fluoride; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 85 ℃; for 24h; Inert atmosphere; Darkness;

DOI:10.1021/ol202174a

upstream raw materials:

1,2-dimethoxybenzene

iodotrifluoromethane

(trifluoromethyl)trimethylsilane

(2,3-dimethoxyphenyl)boronic acid