Dimethyl 4-aminothiophene-2,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-aminothiophene-2,3-dicarboxylate
• CAS No.: 62947-31-3
• Molecular Formula: C₈H₉NO₄S
• Molecular Weight: 215.23
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80380599
• Nikkaji Number: J1.786.787C
• Wikidata: Q72469279

Synonyms:Dimethyl 4-aminothiophene-2,3-dicarboxylate;62947-31-3;4-Amino-thiophene-2,3-dicarboxylic acid dimethyl ester;2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate;Maybridge1_003840;SCHEMBL2182359;HMS552G12;DTXSID80380599;AMY17994;MFCD00205188;AKOS000277483;AC-5188;CCG-242134;PS-4351;SB66996;CS-0313946;FT-0625065;A834113;4-aminothiophene-2,3-dicarboxylic acid dimethyl ester;BRD-K29409233-003-01-8

Chemical Property of Dimethyl 4-aminothiophene-2,3-dicarboxylate

Chemical Property:

• Boiling Point: 350.5 °C at 760 mmHg
• Flash Point: Flash Point: 165.8 °C
• PSA: 106.86000
• Density: 1.371 g/cm³
• LogP: 1.48470
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

98% ^*data from raw suppliers

Dimethyl4-Aminothiophene-2,3-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC=C1N)C(=O)OC

Technology Process of Dimethyl 4-aminothiophene-2,3-dicarboxylate

There total 3 articles about Dimethyl 4-aminothiophene-2,3-dicarboxylate 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:

2,3-bismethoxycarbonyl-4-oxotetrahydrothiophene (38293-63-9) → dimethyl 4-amino-2,3-bismethoxycarbonylthiophene (62947-31-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / MH₂OH*HCl / methanol / 1 h / Heating

2: aq. NH₃

With ammonium hydroxide; In methanol;

DOI:10.1081/SCC-120005940

Reference yield:

dimethyl 4-amino-2,3-bismethoxycarbonylthiophene hydrochloride (121071-71-4) → dimethyl 4-amino-2,3-bismethoxycarbonylthiophene (62947-31-3)

Guidance literature:

With ammonium hydroxide;

DOI:10.1081/SCC-120005940

Reference yield:

→ dimethyl 4-amino-2,3-bismethoxycarbonylthiophene (62947-31-3)

Guidance literature:

/BRN= 431089/, HCl;

DOI:10.1055/s-1977-24323

upstream raw materials:

dimethyl 4-amino-2,3-bismethoxycarbonylthiophene hydrochloride

2,3-bismethoxycarbonyl-4-oxotetrahydrothiophene

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