Ethyl-N-(2-methyl-3-nitrophenyl)formimidate

Base Information

• Chemical Name: Ethyl-N-(2-methyl-3-nitrophenyl)formimidate
• CAS No.: 115118-93-9
• Molecular Formula: C10H12N2O3
• Molecular Weight: 208.217
• DSSTox Substance ID: DTXSID80448062
• Mol file: 115118-93-9.mol

Synonyms:Ethyl-N-(2-methyl-3-nitrophenyl)formimidate;115118-93-9;ethyl N-(2-methyl-3-nitrophenyl)methanimidate;DTXSID80448062;AKOS025294116;SB78292;CS-0441260;FT-0668331;Ethyl (E)-N-(2-methyl-3-nitrophenyl)formimidate

Chemical Property of Ethyl-N-(2-methyl-3-nitrophenyl)formimidate

Chemical Property:

• Melting Point: 58-59 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• Boiling Point: 323.5±35.0 °C(Predicted)
• PKA: 1.93±0.50(Predicted)
• PSA: 67.41000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 3.12270
• Solubility.: DMSO, Ethanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=NC1=C(C(=CC=C1)[N+](=O)[O-])C
• Uses: Ethyl-N-(2-methyl-3-nitrophenyl)formimidate (cas# 115118-93-9) is a compound useful in organic synthesis.

Technology Process of Ethyl-N-(2-methyl-3-nitrophenyl)formimidate

There total 2 articles about Ethyl-N-(2-methyl-3-nitrophenyl)formimidate 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: 94.0%

3-nitro-o-tolylamine (603-83-8) + orthoformic acid triethyl ester (122-51-0) → N-(2-methyl-3-nitrophenyl)ethoxymethylenimine (115118-93-9)

Guidance literature:

With toluene-4-sulfonic acid; at 120 ℃; for 1h;

DOI:10.1016/S0040-4020(01)87932-1

Reference yield: 89.0%

3-nitro-o-tolylamine (603-83-8) + orthoformic acid triethyl ester (122-51-0) → ethyl N-(2-methyl-3-nitrophenyl)formimidate (115118-93-9)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1016/S0040-4039(97)00174-3

Reference yield: 99.36%

N-(2-methyl-3-nitrophenyl)ethoxymethylenimine (115118-93-9) → 4-nitro-1H-indoIe (4769-97-5)

Guidance literature:

With sodium ethanolate; oxalic acid diethyl ester; In N,N-dimethyl-formamide; Concentration;

upstream raw materials:

3-nitro-o-tolylamine

orthoformic acid triethyl ester

Downstream raw materials:

1-methyl-4-nitro-1H-indole

4-nitro-1H-indoIe

N¹,N²-bis(2-methyl-3-nitrophenyl)amidine

(4-nitroindol-3-yl)-2-oxoacetic acid

Refernces

• 1、 -. "Preparation method of pharmaceutical intermediate (4-nitroindole)". Page/Page column 4; 5; 6. . Retrieved 2019/01/14.
• 2、 Ferlin, Maria Grazia,Conconi, Maria Teresa,Urbani, Luca,Oselladore, Barbara,Guidolin, Diego,Di Liddo, Rosa,Parnigotto, Pier Paolo. "Synthesis, in vitro and in vivo preliminary evaluation of anti-angiogenic properties of some pyrroloazaflavones". scheme or table. p. 448 - 457. Retrieved 2011/02/27.