Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate
• CAS No.: 82000-54-2
• Molecular Formula: C₉H₁₀N₂O₂S₂
• Molecular Weight: 242.323
• Hs Code.: 2934999090
• European Community (EC) Number: 830-284-9
• DSSTox Substance ID: DTXSID00377123
• Wikidata: Q82166197
• Mol file: 82000-54-2.mol

Synonyms:Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate;82000-54-2;ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate;DTXSID00377123;Ethyl4-amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate;AMY36664;MFCD00139775;AKOS005070095;CS-0253352;FT-0742678;EN300-64053;3C-140;J-520969;Z992243648

Chemical Property of Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate

Chemical Property:

• Melting Point: 134-136°C
• PSA: 121.69000
• LogP: 3.00630
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 242.01836991
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(SN=C2S1)C)N

Technology Process of Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-carboxylate

There total 1 articles about Ethyl 4-Amino-3-methylthieno[2,3-c]isothiazole-5-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: 93.0%

ethyl-2-(4-cyano-5-methylisothiazol-3-ylthio)acetate (82000-48-4) → ethyl 4-amino-3-methylthieno-<2,3-c>isothiazole-5-carboxylate (82000-54-2)

Guidance literature:

With sodium ethanolate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield:

ethyl 4-amino-3-methylthieno-<2,3-c>isothiazole-5-carboxylate (82000-54-2) → ethyl 3-methylthieno<2,3-c>isothiazole-5-carboxylate (82000-57-5)

Guidance literature:

With sulfuric acid; hypophosphorous acid; copper(II) oxide; sodium nitrite; Yield given. Multistep reaction; 1.) 0 deg C, 2h, 2). 0 deg C, 3h,;

Reference yield:

ethyl 4-amino-3-methylthieno-<2,3-c>isothiazole-5-carboxylate (82000-54-2) → 3-methylthieno<2,3-c>isothiazole-5-carboxylate (82000-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1). sodium nitrite, H₂SO₄, 2.) hypophosphorous acid, CuO / 1.) 0 deg C, 2h, 2). 0 deg C, 3h,

2: 90 percent / 2 M aq. sodium hydroxide

With sodium hydroxide; sulfuric acid; hypophosphorous acid; copper(II) oxide; sodium nitrite;

upstream raw materials:

ethyl-2-(4-cyano-5-methylisothiazol-3-ylthio)acetate

Downstream raw materials:

ethyl 3-methylthieno<2,3-c>isothiazole-5-carboxylate

3-methylthieno<2,3-c>isothiazole-5-carboxylate

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