4-Methoxy-3-(trifluoromethyl)phenol

Base Information

• Chemical Name: 4-Methoxy-3-(trifluoromethyl)phenol
• CAS No.: 53903-59-6
• Molecular Formula: C₈H₇F₃O₂
• Molecular Weight: 192.138
• Hs Code.: 2907199090
• European Community (EC) Number: 867-120-0
• Mol file: 53903-59-6.mol

Synonyms:4-methoxy-3-(trifluoromethyl)phenol;53903-59-6;4-Methoxy-3-(trifluoroMethyl)phenol, 97%;SCHEMBL11142828;SSPYTHVQEXWESL-UHFFFAOYSA-N;MFCD09832303;AKOS006329161;JS-4594;MB07755;CS-0194114;E90268;EN300-343947

Chemical Property of 4-Methoxy-3-(trifluoromethyl)phenol

Chemical Property:

• Melting Point: 45-47°
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.03981395
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99.00% ^*data from raw suppliers

4-Methoxy-3-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)O)C(F)(F)F

Technology Process of 4-Methoxy-3-(trifluoromethyl)phenol

There total 1 articles about 4-Methoxy-3-(trifluoromethyl)phenol 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: 37.0%

4-bromo-1-methoxy-2-(trifluoromethyl)benzene (1514-11-0) → 4-methoxy-3-(trifluoromethyl)phenol (53903-59-6)

Guidance literature:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene; With magnesium; In tetrahydrofuran; Inert atmosphere;

With oxaziridine; In tetrahydrofuran; at 0 - 25 ℃; for 2h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; water; Inert atmosphere;

DOI:10.1038/nchem.2672

Reference yield:

4-methoxy-3-(trifluoromethyl)phenol (53903-59-6) → 2-(4-methoxy-3-(trifluoromethyl)phenoxy)acetic acid

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide; potassium carbonate / acetone / 4 h / Reflux

2: sodium hydroxide / water / 2 h / Reflux

With potassium carbonate; sodium iodide; sodium hydroxide; In water; acetone;

DOI:10.1111/febs.13359

Reference yield:

4-methoxy-3-(trifluoromethyl)phenol (53903-59-6) → 2-((4-methoxy-3-(trifluoromethyl)phenoxy)methyl)-3-methylnaphthalene-1,4-dione

Guidance literature:

Multi-step reaction with 3 steps

1: sodium iodide; potassium carbonate / acetone / 4 h / Reflux

2: sodium hydroxide / water / 2 h / Reflux

3: silver nitrate; ammonium peroxydisulfate / acetonitrile; water / 3 h / 85 °C

With ammonium peroxydisulfate; potassium carbonate; silver nitrate; sodium iodide; sodium hydroxide; In water; acetone; acetonitrile; 3: |Kochi Decarboxylation;

DOI:10.1111/febs.13359

upstream raw materials:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene

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