3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid

Base Information

Chemical Name:3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid
CAS No.:445026-31-3
Molecular Formula:C₁₅H₁₀F₄O₃
Molecular Weight:314.236
Hs Code.:
DSSTox Substance ID:DTXSID501187474

Synonyms:3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid;DTXSID501187474;445026-31-3

Suppliers and Price of 3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:314.05660683
Heavy Atom Count:22
Complexity:386

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)COC2=C(C=C(C=C2)C(=O)O)F

Technology Process of 3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid

There total 3 articles about 3-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic Acid 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:

: 4-Bromo-2-fluoro-1-(3-trifluoromethyl-benzyloxy)-benzene

: 124-38-9,18923-20-1
carbon dioxide

: 445026-31-3
4-(3'-trifluoromethylbenzyloxy)-3-fluorobenzoic acid

Guidance literature:: 4-Bromo-2-fluoro-1-(3-trifluoromethyl-benzyloxy)-benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.25h;

carbon dioxide; In tetrahydrofuran; pentane; at -78 - -10 ℃; Further stages.;
DOI:10.1021/jm010579r

Reference yield:

: 2105-94-4
4-bromo-2-fluorophenol

: 445026-31-3
4-(3'-trifluoromethylbenzyloxy)-3-fluorobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: K₂CO₃ / acetone / 20 °C

2.1: t-butyllithium / tetrahydrofuran; pentane / 0.25 h / -78 °C

2.2: tetrahydrofuran; pentane / -78 - -10 °C

With tert.-butyl lithium; potassium carbonate; In tetrahydrofuran; acetone; pentane;
DOI:10.1021/jm010579r

Reference yield:

: 367-12-4
2-fluorophenol

: 445026-31-3
4-(3'-trifluoromethylbenzyloxy)-3-fluorobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: Br₂ / CH₂Cl₂ / 48 h / 20 °C

2.1: K₂CO₃ / acetone / 20 °C

3.1: t-butyllithium / tetrahydrofuran; pentane / 0.25 h / -78 °C

3.2: tetrahydrofuran; pentane / -78 - -10 °C

With bromine; tert.-butyl lithium; potassium carbonate; In tetrahydrofuran; dichloromethane; acetone; pentane;
DOI:10.1021/jm010579r