1-(2-Bromoethoxy)-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(2-Bromoethoxy)-3-(trifluoromethyl)benzene
• CAS No.: 18800-39-0
• Molecular Formula: C9H8BrF3O
• Molecular Weight: 269.061
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70378364
• Wikidata: Q82167893
• Mol file: 18800-39-0.mol

Synonyms:1-(2-bromoethoxy)-3-(trifluoromethyl)benzene;18800-39-0;3-(2-Bromoethoxy)benzotrifluoride;MFCD00215501;SCHEMBL40097;Benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-;DTXSID70378364;3-(2-bromomethoxy)benzotrifluoride;AKOS000212569;SY152084;1-bromo-2-(3-trifluoromethylphenoxy)ethane;CS-0060415;FT-0637751;1-(2-bromo-ethoxy)-3-trifluoromethyl-benzene;1-(2-bromoethoxy)-3-(trifluoromethyl) benzene;3F-943;EN300-133131;N10408;A813201;J-502944

Chemical Property of 1-(2-Bromoethoxy)-3-(trifluoromethyl)benzene

Chemical Property:

• Boiling Point: 252.8°Cat760mmHg
• Flash Point: 130.4°C
• PSA: 9.23000
• Density: 1.523g/cm³
• LogP: 3.47910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 267.97106
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Bromoethoxy)benzotrifluoride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCCBr)C(F)(F)F

Technology Process of 1-(2-Bromoethoxy)-3-(trifluoromethyl)benzene

There total 2 articles about 1-(2-Bromoethoxy)-3-(trifluoromethyl)benzene 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: 74.0%

3-Trifluoromethylphenol (98-17-9) + ethylene dibromide (106-93-4) → 1-bromo-2-(3-trifluoro-methyl-phenoxy)-ethane (18800-39-0)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 60 ℃;

DOI:10.1021/acs.jmedchem.8b00828

Reference yield: 22.0%

→ 1-bromo-2-(3-trifluoro-methyl-phenoxy)-ethane (18800-39-0)

Guidance literature:

With potassium carbonate; at 60 ℃; for 16h; Inert atmosphere;

Reference yield: 87.0%

1-bromo-2-(3-trifluoro-methyl-phenoxy)-ethane (18800-39-0) + potassium phtalimide (1074-82-4) → 2-(2-(3-(trifluoromethyl)phenoxy)ethyl)isoindoline-1,3-dione (321432-39-7)

Guidance literature:

With 18-crown-6 ether; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

DOI:10.1021/acs.jmedchem.0c00814

upstream raw materials:

3-Trifluoromethylphenol

ethylene dibromide

Downstream raw materials:

N'-4-[2-(3-trifluoromethylphenoxy)ethoxy]phenyl-N,N-dimethylurea

1,1-Dimethyl-3-{3-[2-(3-trifluoromethyl-phenoxy)-ethoxy]-phenyl}-urea

N-<2-(3-Trifluormethylphenyloxy)-ethyl>-cyclopropylamin

2-(2-(3-(trifluoromethyl)phenoxy)ethyl)isoindoline-1,3-dione

Refernces

• 1、 Kurczab, Rafa,Canale, Vittorio,Sataa, Grzegorz,Zajdel, Pawea,Bojarski, Andrzej J.. "Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor". supporting information. p. 8717 - 8733. Retrieved 2018/10/02.
• 2、 -. "DOPAMINE D2 RECEPTOR LIGANDS". Page/Page column 119; 123. . Retrieved 2016/07/05.