Methyl 2-(3-nitro-5-(trifluoromethyl)phenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-nitro-5-(trifluoromethyl)phenyl)acetate
• CAS No.: 866787-54-4
• Molecular Formula: C10H8 F3 N O4
• Molecular Weight: 263.173
• DSSTox Substance ID: DTXSID00700952
• Wikidata: Q82632478
• Mol file: 866787-54-4.mol

Synonyms:866787-54-4;METHYL 2-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)ACETATE;methyl 2-[3-nitro-5-(trifluoromethyl)phenyl]acetate;methyl 2-[3-nitro-5-(trifluoromethyl)phenyl]ethanoate;SCHEMBL5748815;3-Nitro-5-(trifluoromethyl)benzeneacetic acid methyl ester;DTXSID00700952;A841787;Methyl [3-nitro-5-(trifluoromethyl)phenyl]acetate;(3-Nitro-5-trifluoromethyl-phenyl)-acetic acid methyl ester;METHYL2-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)ACETATE;2-[3-nitro-5-(trifluoromethyl)phenyl]acetic acid methyl ester

Chemical Property of Methyl 2-(3-nitro-5-(trifluoromethyl)phenyl)acetate

Chemical Property:

• PSA: 72.12000
• LogP: 2.85230
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 263.04054222
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(3-nitro-5-(trifluoromethyl)phenyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

Technology Process of Methyl 2-(3-nitro-5-(trifluoromethyl)phenyl)acetate

There total 1 articles about Methyl 2-(3-nitro-5-(trifluoromethyl)phenyl)acetate 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: 34.0%

(3-trifluoromethyl-phenyl)-acetic acid methyl ester (62451-84-7) → (3-nitro-5-trifluoromethyl-phenyl)-acetic acid methyl ester (866787-54-4)

Guidance literature:

With trifluoromethylsulfonic anhydride; tetramethylammonium nitrate; In dichloromethane; at 20 ℃; Heating / reflux;

Reference yield: 100.0%

(3-nitro-5-trifluoromethyl-phenyl)-acetic acid methyl ester (866787-54-4) → (3-amino-5-trifluoromethyl-phenyl)-acetic acid methyl ester (866787-55-5)

Guidance literature:

With iron; acetic acid; In water; for 2h; Heating / reflux;

upstream raw materials:

(3-trifluoromethyl-phenyl)-acetic acid methyl ester

Downstream raw materials:

(3-amino-5-trifluoromethyl-phenyl)-acetic acid methyl ester

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