4-Methoxy-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 4-Methoxy-3-nitrobenzotrifluoride
• CAS No.: 394-25-2
• Molecular Formula: C8H6F3NO3
• Molecular Weight: 221.136
• Hs Code.: 29093090
• European Community (EC) Number: 206-891-4
• NSC Number: 88325
• UNII: 95RJH7SBS7
• DSSTox Substance ID: DTXSID10192586
• Nikkaji Number: J209.010D
• Wikidata: Q72517244
• Mol file: 394-25-2.mol

Synonyms:4-Methoxy-3-nitrobenzotrifluoride;394-25-2;2-Nitro-4-(trifluoromethyl)anisole;1-Methoxy-2-nitro-4-(trifluoromethyl)benzene;2-Nitro-4-trifluoromethylanisole;Benzene, 1-methoxy-2-nitro-4-(trifluoromethyl)-;3-Nitro-4-methoxybenzotrifluoride;MFCD00007099;95RJH7SBS7;C8H6F3NO3;4-Trifluoromethyl-2-nitroanisole;EINECS 206-891-4;NSC-88325;NSC88325;UNII-95RJH7SBS7;NCIOpen2_005188;SCHEMBL1632412;4-methoxy-3-nitrobezotrifluoride;DTXSID10192586;4-methoxy-3-nitro-benzotrifluoride;NSC 88325;AKOS005254304;CCG-234682;CS-W002021;FS-3805;Anisole, 2-nitro-4-(trifluoromethyl)-;2-Methoxy-5-trifluoromethyl-nitrobenzene;4-(TRIFLUOROMETHYL)-2-NITROANISOLE;1-Methoxy-2-nitro-4-trifluoromethyl-benzene;A6596;AM20040360;FT-0618896;T1042;1-Methoxy-2-nitro-4-(trifluoromethyl)benzene #;J-515644

Chemical Property of 4-Methoxy-3-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Melting Point: 47-49 °C(lit.)
• Boiling Point: 251.8 °C at 760 mmHg
• Flash Point: 106.1 °C
• PSA: 55.05000
• Density: 1.393 g/cm³
• LogP: 3.14540
• Storage Temp.: -20°C
• Solubility.: soluble in Benzene,Toluene
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 221.02997754
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxy-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 22-26-36/37/39-45-27-60-20

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+](=O)[O-]

Technology Process of 4-Methoxy-3-nitrobenzotrifluoride

There total 9 articles about 4-Methoxy-3-nitrobenzotrifluoride 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:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + 1,2-difluoro-4-(trifluoromethyl)benzene (32137-19-2) + 2-methoxy-5-nitrobenzotrifluoride (394-25-2) + N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7) + 2-nitro-4-trifluoromethylphenol (400-99-7) + C14H6F7NO3

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In sulfolane; at 180 ℃;

DOI:10.1021/jo00022a037

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 2-methoxy-5-nitrobenzotrifluoride (394-25-2)

Guidance literature:

With sodium methylate;

DOI:10.1021/ja01132a017

Reference yield:

Nitroethane (79-24-3) + 2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 2-methoxy-5-nitrobenzotrifluoride (394-25-2)

Guidance literature:

With sodium methylate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dimethyl sulfoxide; toluene;

upstream raw materials:

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

2-chloro-3-nitro-5-trifluoromethylbenzene

p-fluorotoluene

4-Fluorobenzotrifluoride

Downstream raw materials:

2-Nitro-1-propyloxy-4-trifluormethylbenzol

1-methoxy-3-methyl-2-nitro-4-(trifluoromethyl)benzene

N-(2-methoxy-5-trifluoromethyl-phenyl)-pivalamide

NS 1619

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF THIOETHER-SUBSTITUTED AROMATIC KETONES". . . Retrieved 2008/06/13.
• 2、 Maggini, Michele,Passudetti, Margherita,Gonzales-Trueba, Guadalupe,Prato, Maurizio,Quintily, Ugo,Scorrano, Gianfranco. "A General Procedure for the Fluorodenitration of Aromatic Substrates". . p. 6406 - 6411. Retrieved 2007/10/02.