Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate

Base Information

• Chemical Name: Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate
• CAS No.: 91041-18-8
• Molecular Formula: C12H9 N O5 S
• Molecular Weight: 279.273
• DSSTox Substance ID: DTXSID80377545
• Wikidata: Q82166799
• Mol file: 91041-18-8.mol

Synonyms:91041-18-8;methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate;methyl 3-(2-nitrophenoxy)thiophene-2-carboxylate;10H-369S;DTXSID80377545;MFCD00202719;AKOS005074661;methyl3-(2-nitrophenoxy)thiophene-2-carboxylate

Chemical Property of Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate

Chemical Property:

• Vapor Pressure: 2.58E-06mmHg at 25°C
• Melting Point: 128-130°C
• Boiling Point: 390.8°Cat760mmHg
• Flash Point: 190.2°C
• PSA: 109.59000
• Density: 1.401g/cm³
• LogP: 3.75840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 279.02014356
• Heavy Atom Count: 19
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CS1)OC2=CC=CC=C2[N+](=O)[O-]

Technology Process of Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate

There total 1 articles about Methyl 3-(2-nitrophenoxy)-2-thiophenecarboxylate 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%

methyl 3-hydroxy-2-thiophenecarboxylate (5118-06-9) + 2-Chloronitrobenzene (88-73-3) → methyl 3-(2-nitrophenoxy)thiophene-2-carboxylate (91041-18-8)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 22h; Irradiation; ultrasonic irradiation;

DOI:10.1002/jhet.5570220542

Reference yield: 96.0%

methyl 3-(2-nitrophenoxy)thiophene-2-carboxylate (91041-18-8) → methyl 3-(2-aminophenoxy)thiophene-2-carboxylate (91041-21-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 3102.9 Torr;

DOI:10.1002/jhet.5570220542

upstream raw materials:

methyl 3-hydroxy-2-thiophenecarboxylate

2-Chloronitrobenzene

Downstream raw materials:

methyl 3-(2-aminophenoxy)thiophene-2-carboxylate

Refernces