Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride

Base Information

• Chemical Name: Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride
• CAS No.: 121071-71-4
• Molecular Formula: C₈H₉NO₄S*ClH
• Molecular Weight: 251.691
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20384571
• Mol file: 121071-71-4.mol

Synonyms:Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride;121071-71-4;dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride;dimethyl 4-aminothiophene-2,3-dicarboxylate HCl;SCHEMBL2847474;DTXSID20384571;AMY18010;CCG-48648;MFCD00205189;AKOS000276663;AC-5194;TS-00799;FT-0642955;SR-01000638172-1;3-Amino-4,5-bismethoxycarbonylthiophene hydrochloride;2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride

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

Chemical Property:

• Vapor Pressure: 4.37E-05mmHg at 25°C
• Melting Point: 166-169 °C
• Boiling Point: 350.5 °C at 760 mmHg
• Flash Point: 165.8 °C
• PSA: 106.86000
• Density: 1.371g/cm3
• LogP: 2.28670
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 251.0019067
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about Dimethyl 4-aminothiophene-2,3-dicarboxylate Hydrochloride 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: 52.0%

2,3-bismethoxycarbonyl-4-oxotetrahydrothiophene (38293-63-9) → dimethyl 4-amino-2,3-bismethoxycarbonylthiophene hydrochloride (121071-71-4)

Guidance literature:

With MH₂OH*HCl; In methanol; for 1h; Heating;

DOI:10.1081/SCC-120005940

Reference yield:

dimethyl 4-(hydroxyimino)thiolane-2,3-dicarboxylate → dimethyl 4-amino-2,3-bismethoxycarbonylthiophene hydrochloride (121071-71-4)

Guidance literature:

With hydrogenchloride; acetic acid; In ethyl acetate; at 20 ℃; for 8h;

Reference yield:

phenyl chloroformate (1885-14-9) + dimethyl 4-amino-2,3-bismethoxycarbonylthiophene hydrochloride (121071-71-4) → dimethyl 4-(phenoxycarbonylamino)thiophene-2,3-dicarboxylate

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; at 6 - 13 ℃; for 0.5h; Temperature;

upstream raw materials:

2,3-bismethoxycarbonyl-4-oxotetrahydrothiophene

Downstream raw materials:

dimethyl 4-amino-2,3-bismethoxycarbonylthiophene

3-[5-(6-{2-[N-(tert-butoxycarbonyl)-N-methylamino]-ethoxy}-2,3-difluorobenzyloxy)-2-fluorophenyl]-5-methoxycarbonylthieno[3,4-d]pyrimidine-2,4(1H,3H)-dione

3-(2-fluoro-5-{2,3-difluoro-6-[2-(oxazolidin-2-one-3-yl)-ethoxy]benzyloxy}phenyl)-5-methoxycarbonylthieno[3,4-d]pyrimidine-2,4(1H,3H)-dione

Refernces

• 1、 -. "The condensed heterocyclic derivative and its intermediate". Paragraph 0025. . Retrieved 2018/05/03.