4-Bromo-1-isopropenyloxy-2-trifluoromethyl-benzene

Base Information

• Chemical Name: 4-Bromo-1-isopropenyloxy-2-trifluoromethyl-benzene
• CAS No.: 914635-61-3
• Molecular Formula: C10H8BrF3O
• Molecular Weight: 283.088
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60699292
• Wikidata: Q82630164
• Mol file: 914635-61-3.mol

Synonyms:4-BROMO-1-ISOPROPENYLOXY-2-TRIFLUOROMETHYL-BENZENE;DTXSID60699292;4-Bromo-1-[(prop-1-en-2-yl)oxy]-2-(trifluoromethyl)benzene

Chemical Property of 4-Bromo-1-isopropenyloxy-2-trifluoromethyl-benzene

Chemical Property:

• PSA: 9.23000
• LogP: 4.25510
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 279.97106
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-1-propan-2-yloxy-2-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)OC1=C(C=C(C=C1)Br)C(F)(F)F

Technology Process of 4-Bromo-1-isopropenyloxy-2-trifluoromethyl-benzene

There total 2 articles about 4-Bromo-1-isopropenyloxy-2-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:

5-bromo-2-fluorobenzotrifluoride (393-37-3) + isopropyl alcohol (67-63-0,8013-70-5) → 4-bromo-1-[(1-methylethyl)oxy]-2-(trifluoromethyl)benzene (914635-61-3)

Guidance literature:

isopropyl alcohol; With potassium tert-butylate; In tetrahydrofuran; at 50 ℃; for 0.166667h; Inert atmosphere;

5-bromo-2-fluorobenzotrifluoride; In tetrahydrofuran; at 50 ℃;

Reference yield:

4-Fluoro-3-trifluoromethylaniline (2357-47-3) → 4-bromo-1-[(1-methylethyl)oxy]-2-(trifluoromethyl)benzene (914635-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: copper(ll) bromide; tert.-butylnitrite / acetonitrile / 20 °C / Cooling with ice; Inert atmosphere

2.1: potassium tert-butylate / tetrahydrofuran / 0.17 h / 50 °C / Inert atmosphere

2.2: 50 °C

With tert.-butylnitrite; potassium tert-butylate; copper(ll) bromide; In tetrahydrofuran; acetonitrile;

Reference yield:

2,3-dimethyl-2,3-butane diol (76-09-5) + Triisopropyl borate (5419-55-6) + 4-bromo-1-[(1-methylethyl)oxy]-2-(trifluoromethyl)benzene (914635-61-3) → 4,4,5,5-tetramethyl-2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane (1334607-79-2)

Guidance literature:

4-bromo-1-[(1-methylethyl)oxy]-2-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; at -78 - -60 ℃;

Triisopropyl borate; In tetrahydrofuran; at -60 - 20 ℃;

2,3-dimethyl-2,3-butane diol; With acetic acid; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

5-bromo-2-fluorobenzotrifluoride

isopropyl alcohol

4-Fluoro-3-trifluoromethylaniline

Downstream raw materials:

C₁₈H₁₈F₃N₃O

4,4,5,5-tetramethyl-2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

4-(2-ethyl-3-{2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-5-pyrimidinyl}phenyl)butanoic acid

4-[5-fluoro-3-{2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-5-pyrimidinyl}-2-(methyloxy)phenyl]butanoic acid