Methyl 2-Fluoro-4-nitrophenylacetate

Base Information

• Chemical Name: Methyl 2-Fluoro-4-nitrophenylacetate
• CAS No.: 337529-74-5
• Molecular Formula: C9H8FNO4
• Molecular Weight: 213.165
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00593184
• Nikkaji Number: J2.288.241D
• Wikidata: Q82487618
• Mol file: 337529-74-5.mol

Synonyms:337529-74-5;Methyl 2-Fluoro-4-nitrophenylacetate;Methyl 2-(2-fluoro-4-nitrophenyl)acetate;MFCD12198847;Methyl (2-fluoro-4-nitrophenyl)acetate;Methyl2-Fluoro-4-nitrophenylacetate;Benzeneacetic acid, 2-fluoro-4-nitro-, methyl ester;ZINCP-T-BUTYLBENZOATE;SCHEMBL6597479;DTXSID00593184;ZFELCQQSVRXXGP-UHFFFAOYSA-N;AKOS015888180;AC-7232;AS-31566;SY005266;DB-068879;CS-0207635;EN300-251502;A875202

Chemical Property of Methyl 2-Fluoro-4-nitrophenylacetate

Chemical Property:

• Vapor Pressure: 0.000658mmHg at 25°C
• Boiling Point: 309°C at 760 mmHg
• Flash Point: 140.7°C
• PSA: 72.12000
• Density: 1.346g/cm³
• LogP: 1.97260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.04373590
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-(2-fluoro-4-nitrophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-Fluoro-4-nitrophenylacetate

There total 3 articles about Methyl 2-Fluoro-4-nitrophenylacetate 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%

methanol (67-56-1) + 2-(2-fluoro-4-nitrophenyl)acetic acid (315228-19-4) → methyl 2-(4-nitro-2-fluorophenyl)acetate (337529-74-5)

Guidance literature:

With sulfuric acid; for 4h; Reflux;

Reference yield: 64.0%

dimethyl 2-(2-fluoro-4-nitrophenyl)malonate (188975-47-5) → methyl 2-(4-nitro-2-fluorophenyl)acetate (337529-74-5)

Guidance literature:

With water; sodium chloride; In dimethyl sulfoxide; at 120 ℃; for 3h;

Reference yield:

3,4-difluoronitrobenzene (369-34-6) → methyl 2-(4-nitro-2-fluorophenyl)acetate (337529-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 50 °C

1.2: 5 h / 50 °C

2.1: water; sodium chloride / dimethyl sulfoxide / 3 h / 120 °C

With water; potassium carbonate; sodium chloride; In dimethyl sulfoxide; N,N-dimethyl-formamide;

upstream raw materials:

dimethyl 2-(2-fluoro-4-nitrophenyl)malonate

3,4-difluoronitrobenzene

methanol

2-(2-fluoro-4-nitrophenyl)acetic acid

Downstream raw materials:

1-[[5-tert-butyl-2-(3-chlorophenyl)-2H-pyrazol-3-yl]methyl]-3-[3-fluoro-4-(2-hydroxyethyl)phenyl]urea

1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)-2H-pyrazol-3-yl]methyl]-3-[3-fluoro-4-(2-hydroxyethyl)phenyl]urea

phenyl 3-fluoro-4-(2-hydroxyethyl)phenylcarbamate

2-(2-fluoro-4-nitrophenyl)ethan-1-ol

Refernces

• 1、 -. "COMPOUNDS AND METHODS FOR INHIBITING CYP26 ENZYMES". Page/Page column 23. . Retrieved 2018/07/05.
• 2、 -. "SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN O-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS". Page/Page column 133. . Retrieved 2013/05/23.