Methyl 2-(2,4-dinitrophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(2,4-dinitrophenyl)acetate
• CAS No.: 58605-12-2
• Molecular Formula: C9H8 N2 O6
• Molecular Weight: 240.172
• NSC Number: 143979
• DSSTox Substance ID: DTXSID40301523
• Nikkaji Number: J1.393.605F
• Wikidata: Q82045522
• Mol file: 58605-12-2.mol

Synonyms:methyl 2-(2,4-dinitrophenyl)acetate;58605-12-2;Methyl 2,4-dinitrophenylacetate;methyl (2,4-dinitrophenyl)acetate;(2,4-Dinitro-phenyl)-acetic acid methyl ester;2,4-dinitrophenylacetic acid methyl ester;SCHEMBL2133926;DTXSID40301523;AMY25133;methyl2-(2,4-dinitrophenyl)acetate;MFCD00047704;NSC143979;AKOS003375803;FH-0034;NSC 143979;NSC-143979;2,4-dinitrophenyl-acetic acid methyl ester;BB 0243945;CS-0130247;FT-0640543;(2,4-dinitrophenyl)-acetic acid methyl ester

Chemical Property of Methyl 2-(2,4-dinitrophenyl)acetate

Chemical Property:

• Vapor Pressure: 1.99E-05mmHg at 25°C
• Boiling Point: 362°Cat760mmHg
• Flash Point: 168.5°C
• PSA: 117.94000
• Density: 1.447g/cm³
• LogP: 2.26490
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 240.03823598
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-(2,4-dinitrophenyl)acetate 95+% ^*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-])[N+](=O)[O-]

Technology Process of Methyl 2-(2,4-dinitrophenyl)acetate

There total 5 articles about Methyl 2-(2,4-dinitrophenyl)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: 80.0%

methanol (67-56-1) + (2,4-dinitro-phenyl)-acetic acid (643-43-6) → (2,4-dinitro-phenyl)-acetic acid methyl ester (58605-12-2)

Guidance literature:

With sulfuric acid; In dichloromethane; for 20h; Inert atmosphere; Reflux;

DOI:10.1039/d1nj00551k

Reference yield:

2-(2,4-dinitro-phenyl)-3-[4-methoxy-6-(2-methylamino-ethyl)-benzo[1,3]dioxol-5-yl]-acrylic acid methyl ester → 4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-ol (82-54-2) + (2,4-dinitro-phenyl)-acetic acid methyl ester (58605-12-2)

Guidance literature:

Reference yield:

meta-dinitrobenzene (99-65-0) + methyl 2-iodoacetate (5199-50-8) → (2,4-dinitro-phenyl)-acetic acid methyl ester (58605-12-2)

Guidance literature:

With potassium tert-butylate; In 1,2-dimethoxyethane; at -20 - 0 ℃;

DOI:10.1055/s-1994-25447

upstream raw materials:

methanol

(2,4-dinitro-phenyl)-acetic acid

meta-dinitrobenzene

methyl 2-iodoacetate

Downstream raw materials:

6-Nitro-benzo[d]isoxazole-3-carboxylic acid

(2,4-diamino-phenyl)-acetic acid methyl ester

6-nitroindolin-2-one