Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
• CAS No.: 104636-77-3
• Molecular Formula: C12H12 N2 O3 S
• Molecular Weight: 264.305
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60377109
• Wikidata: Q82166179
• Mol file: 104636-77-3.mol

Synonyms:104636-77-3;methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate;methyl 3-(2,4-diaminophenoxy)-2-thiophenecarboxylate;methyldiaminophenoxythiophenecarboxylate;DTXSID60377109;MFCD04117803;AKOS005069983;FT-0680246;2X-0727;J-522070;METHYL3-(2,4-DIAMINOPHENOXY)-2-THIOPHENECARBOXYLATE

Chemical Property of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.12E-07mmHg at 25°C
• Melting Point: 166-169°C
• Boiling Point: 432.3°Cat760mmHg
• Flash Point: 215.2°C
• PSA: 115.81000
• Density: 1.376g/cm³
• LogP: 3.65380
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 264.05686342
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-(2,4-diaminophenoxy)-2-thiophenecarboxylate >95% ^*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=C(C=C(C=C2)N)N

Technology Process of Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate

There total 2 articles about Methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate 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: 92.0%

3-(2,4-Dinitro-phenoxy)-thiophene-2-carboxylic acid methyl ester (104636-76-2) → 3-(2,4-Diamino-phenoxy)-thiophene-2-carboxylic acid methyl ester (104636-77-3)

Guidance literature:

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

DOI:10.1002/jhet.5570220542

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → 3-(2,4-Diamino-phenoxy)-thiophene-2-carboxylic acid methyl ester (104636-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / potassium carbonate / dimethylsulfoxide / 0.5 h / 100 °C

2: 92 percent / hydrogen / palladium on charcoal (10percent) / methanol / 3102.9 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; dimethyl sulfoxide;

DOI:10.1002/jhet.5570220542

upstream raw materials:

3-(2,4-Dinitro-phenoxy)-thiophene-2-carboxylic acid methyl ester

1-chloro-2,4-dinitro-benzene