Methyl 2-(2,4-dinitrophenoxy)benzoate

Base Information

• Chemical Name: Methyl 2-(2,4-dinitrophenoxy)benzoate
• CAS No.: 2363-41-9
• Molecular Formula: C₁₄H₁₀N₂O₇
• Molecular Weight: 318.243
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50429404
• Mol file: 2363-41-9.mol

Synonyms:methyl 2-(2,4-dinitrophenoxy)benzoate;2363-41-9;DTXSID50429404;STL067188;AKOS000504055;CS-0336292

Chemical Property of Methyl 2-(2,4-dinitrophenoxy)benzoate

Chemical Property:

• Melting Point: 88 °C
• Boiling Point: 419.5±40.0 °C(Predicted)
• PSA: 127.17000
• Density: 1.436±0.06 g/cm3(Predicted)
• LogP: 4.12830
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 318.04880066
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-(2,4-dinitrophenoxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Methyl 2-(2,4-dinitrophenoxy)benzoate

There total 4 articles about Methyl 2-(2,4-dinitrophenoxy)benzoate 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: 9.5%

1-chloro-2,4-dinitro-benzene (97-00-7) + methyl salicylate (119-36-8,8024-54-2) → 2-(2',4'-dinitrophenoxy)-benzoic acid methylester (2363-41-9)

Guidance literature:

With sodium methylate; In methanol; N,N-dimethyl-formamide; at 90 ℃; for 2h;

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2',4'-dinitrophenoxy)-benzoic acid methylester (2363-41-9)

Guidance literature:

With methanol;

DOI:10.1039/jr9380002052

Reference yield:

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + methyl salicylate (119-36-8,8024-54-2) → 2-(2',4'-dinitrophenoxy)-benzoic acid methylester (2363-41-9)

Guidance literature:

With potassium fluoride;

upstream raw materials:

2,4-Dinitrofluorobenzene

methyl salicylate

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

2-(2,4-dinitro-phenoxy)-benzoic acid

2-(2,4-diamino-phenoxy)-benzoic acid methyl ester

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