Methyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate
• CAS No.: 474843-42-0
• Molecular Formula: C12H10N2O4S
• Molecular Weight: 278.28
• Hs Code.: 2934999090
• European Community (EC) Number: 673-948-1
• DSSTox Substance ID: DTXSID30374903
• Wikidata: Q82163478
• Mol file: 474843-42-0.mol

Synonyms:474843-42-0;methyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate;Methyl-3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate;DTXSID30374903;3-AMINO-5-(3-NITRO-PHENYL)-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;AKOS005921049;EN300-26142205;methyl3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate

Chemical Property of Methyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 9.53E-11mmHg at 25°C
• Boiling Point: 515.8°C at 760 mmHg
• Flash Point: 265.7°C
• PSA: 126.38000
• Density: 1.418g/cm³
• LogP: 3.79650
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 278.03612798
• Heavy Atom Count: 19
• Complexity: 360

Purity/Quality:

Methyl3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])N

Technology Process of Methyl 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylate

There total 3 articles about Methyl 3-amino-5-(3-nitrophenyl)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: 20.0%

Methyl thioglycolate (2365-48-2) + (Z)-3-chloro-3-(3-nitrophenyl)-2-propenenitrile → 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylic acid methyl ester (474843-42-0)

Guidance literature:

With sodium methylate; In methanol; for 16h; Heating;

DOI:10.1021/jm0209026

Reference yield:

C9H5ClN2O2 + Methyl thioglycolate (2365-48-2) → 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylic acid methyl ester (474843-42-0)

Guidance literature:

With methanol; sodium; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2013.04.060

Reference yield:

3-Nitroacetophenone (121-89-1) → 3-amino-5-(3-nitrophenyl)thiophene-2-carboxylic acid methyl ester (474843-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: POCl₃ / 25 - 50 °C

1.2: NH₂OH*HCl / 25 - 50 °C

2.1: 20 percent / NaOMe / methanol / 16 h / Heating

With sodium methylate; trichlorophosphate; In methanol;

DOI:10.1021/jm0209026

upstream raw materials:

Methyl thioglycolate

3-Nitroacetophenone

Downstream raw materials:

3-(ethoxyoxalylaminoamino)-5-(3-nitrophenyl)thiophene-2-carboxylic acid methyl ester

5-(3-aminophenyl)-3-(ethoxyoxalylamino)thiophene-2-carboxylic acid methyl ester