2-Methoxy-5-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethyl)aniline
• CAS No.: 349-65-5
• Molecular Formula: C8H8F3NO
• Molecular Weight: 191.153
• Hs Code.: 29222990
• European Community (EC) Number: 626-005-3
• DSSTox Substance ID: DTXSID10344947
• Nikkaji Number: J265.587J
• Wikidata: Q72486262
• Mol file: 349-65-5.mol

Synonyms:2-Methoxy-5-(trifluoromethyl)aniline;349-65-5;3-Amino-4-methoxybenzotrifluoride;2-Amino-4-trifluoromethylanisole;MFCD00042486;Benzenamine, 2-methoxy-5-(trifluoromethyl)-;2-Methoxy-5-trifluoromethylaniline;2-Methoxy-5-trifluoromethyl-phenylamine;4-trifluromethyl-o-anisidine;SCHEMBL330883;F3146-0169;DTXSID10344947;CHEBI:194915;HMS1659D05;2-Amino-4-(trifluoromethyl)anisole;2-methoxy-5-trifluoromethyl-aniline;3-Amino-4-Methoxy Benzotrifluoride;2-methoxy-5-(triluoromethyl)aniline;STK397547;5-(Trifluoromethyl)-2-methoxyaniline;2-methoxy-5-(trifluoromethyl) aniline;2-methoxy-5-trifluoromethylphenylamine;AKOS000102083;5-(Trifluoromethyl) -2-methoxyaniline;CS-W002211;PS-8358;2-methoxy-5-(trifluoromethyl)benzenamine;SY024813;2-Methoxy-5-(trifluoromethyl)phenylamine #;2-Methoxy-5-(trifluoromethyl)aniline, 96%;AM20040248;FT-0614984;M2212;VU0510740-1;A19845;EN300-257738;J-509822;6-Methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine;Z111782480;6-Methoxy-alpha,alpha,alpha-trifluoro-m-toluidine

Chemical Property of 2-Methoxy-5-(trifluoromethyl)aniline

Chemical Property:

• Appearance/Colour: Beige-greyish to brownish crystalline powder
• Vapor Pressure: 0.0671mmHg at 25°C
• Melting Point: 58-60 °C(lit.)
• Refractive Index: 1.476
• Boiling Point: 230.1 °C at 760 mmHg
• PKA: 3.31±0.10(Predicted)
• Flash Point: 92.9 °C
• PSA: 35.25000
• Density: 1.28 g/cm³
• LogP: 2.87740
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.05579836
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

2-Methoxy-5-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(F)(F)F)N
• Uses: 2-Methoxy-5-(trifluoromethyl)aniline may be used in chemical synthesis.

Technology Process of 2-Methoxy-5-(trifluoromethyl)aniline

There total 12 articles about 2-Methoxy-5-(trifluoromethyl)aniline 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: 100.0%

2-methoxy-5-nitrobenzotrifluoride (394-25-2) → 2-Methoxy-5-trifluoromethyl-aniline (349-65-5)

Guidance literature:

With potassium fluoride; polymethylhydrosiloxane; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1055/s-2006-950231

Reference yield:

2-methoxy-5-nitrobenzotrifluoride (394-25-2) + iron (7439-89-6) → 2-Methoxy-5-trifluoromethyl-aniline (349-65-5)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; toluene;

Reference yield:

C13H11F3NO(1+) → 2-Methoxy-5-trifluoromethyl-aniline (349-65-5)

Guidance literature:

With pyrrolidine; at 70 ℃; for 12h;

DOI:10.1021/acs.orglett.0c00822

upstream raw materials:

2-methoxy-5-nitrobenzotrifluoride

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

p-fluorotoluene

1-fluoro-2-nitro-4-trifluoromethyl-benzene

Downstream raw materials:

acetoacetic acid-(2-methoxy-5-trifluoromethyl-anilide)

3-hydroxy-[2]naphthoic acid-(2-methoxy-5-trifluoromethyl-anilide)

2-methoxy-5-trifluoromethylphenyl isocyanate

4-chloropicolinamide

Refernces

• 1、 Ikarashi, Gun,Kano, Naokazu,Morofuji, Tatsuya. "Photocatalytic C-H Amination of Aromatics Overcoming Redox Potential Limitations". . p. 2822 - 2827. Retrieved 2020/04/16.
• 2、 -. "QUINAZOLINES FOR PDK1 INHIBITION". Page/Page column 363-364. . Retrieved 2008/06/13.