4-(Trifluoromethyl)anisole

Base Information

• Chemical Name: 4-(Trifluoromethyl)anisole
• CAS No.: 402-52-8
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.138
• Hs Code.: 2909309090
• Mol file: 402-52-8.mol

Synonyms:Anisole,p-(trifluoromethyl)- (7CI,8CI);4-Methoxy-1-(trifluoromethyl)benzene;4-Methoxybenzotrifluoride;Methylp-trifluoromethylphenyl ether;p-(Trifluoromethyl)anisole;p-Methoxy(trifluoromethyl)benzene;

Chemical Property of 4-(Trifluoromethyl)anisole

Chemical Property:

• Vapor Pressure: 2.36mmHg at 25°C
• Melting Point: -9℃
• Refractive Index: 1.429
• Boiling Point: 166.4 °C at 760 mmHg
• Flash Point: 60.6 °C
• PSA: 9.23000
• Density: 1.198 g/cm³
• LogP: 2.71400
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)anisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16-33

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(Trifluoromethyl)anisole

There total 113 articles about 4-(Trifluoromethyl)anisole 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:

trifluoromethylcopper(I) (77152-08-0) + 4-methoxy-aniline (104-94-9) → 4-chloromethoxybenzene (623-12-1) + para-methoxynitrobenzene (100-17-4) + methyl 4-(trifluoromethyl)phenyl ether (402-52-8)

Guidance literature:

4-methoxy-aniline; With hydrogenchloride; tert.-butylnitrite; In 1,4-dioxane; acetonitrile; at 0 ℃; Inert atmosphere;

trifluoromethylcopper(I); In 1,4-dioxane; N,N-dimethyl-formamide; acetonitrile; at 0 ℃; Overall yield = 30 %Spectr.; Inert atmosphere;

DOI:10.1039/c4cc04930f

Reference yield:

1-bromo-4-methoxy-benzene (104-92-7) + trifluoroacetic acid-methyl ester (431-47-0) → para-iodoanisole (696-62-8) + methyl 4-(trifluoromethyl)phenyl ether (402-52-8)

Guidance literature:

With cesium fluoride; copper(l) iodide; In N,N-dimethyl-formamide; at 180 ℃; for 8h;

DOI:10.1016/j.jfluchem.2007.08.001

Reference yield:

trifluoroacetic acid-methyl ester (431-47-0) + para-iodoanisole (696-62-8) → 4-chloromethoxybenzene (623-12-1) + methyl 4-(trifluoromethyl)phenyl ether (402-52-8)

Guidance literature:

With cesium chloride; copper(l) iodide; In N,N-dimethyl-formamide; at 180 ℃; for 4h;

DOI:10.1016/j.jfluchem.2007.08.001

upstream raw materials:

sodium methylate

4-chlorobenzotrifluoride

1-bromo-4-methoxy-benzene

Bromotrifluoromethane

Downstream raw materials:

2-methoxy-5-(trifluoromethyl)benzaldehyde

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

(2-methoxy-5-trifluoromethyl-phenyl)-phenyl-methanone

1-(tert-butyl)-4-methoxybenzene

Refernces

• 1、 -. "NOVEL METHOD FOR PRODUCING PERFLUOROALKYLATING AGENTS USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL, AND METHOD FOR PRODUCING AROMATIC PERFLUOROALKYL COMPOUND USING THE SAME". Paragraph 0138-0139; 0141-0143. . Retrieved 2021/04/09.
• 2、 Demonti, Luca,Mézailles, Nicolas,Nebra, Noel,Saffon-Merceron, Nathalie. "Cross-Coupling through Ag(I)/Ag(III) Redox Manifold". supporting information. p. 15396 - 15405. Retrieved 2021/10/12.