2-Ethyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Base Information

• Chemical Name: 2-Ethyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate
• CAS No.: 77457-04-6
• Molecular Formula: C₁₀H₁₃NO₄S
• Molecular Weight: 243.284
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80350151
• Nikkaji Number: J1.138.888D
• Wikidata: Q82125942
• ChEMBL ID: CHEMBL1465223
• Mol file: 77457-04-6.mol

Synonyms:77457-04-6;2-ethyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate;2-ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate;2-O-ethyl 4-O-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate;5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester;MFCD00790509;Oprea1_348260;Oprea1_769381;MLS000718649;CHEMBL1465223;SCHEMBL12082955;DTXSID80350151;HMS2734A19;BBL008132;STK003042;AKOS000112180;CCG-109037;FS-5822;SMR000290917;CS-0298817;EN300-227681;AB00097429-01;SR-01000462712;SR-01000462712-1;2-ethyl4-methyl5-amino-3-methylthiophene-2,4-dicarboxylate;O2-Ethyl O4-methyl 5-amino-3-methyl-thiophene-2,4-dicarboxylate;5-amino-3-methyl-thiophene-2,4-dicarboxylic acid2-ethyl ester4-methyl ester;5-amino-3-methyl-2,4-thiophenedicarboxylic acid 2-ethyl ester 4-methyl ester;5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid -2-ethyl ester 4-methyl ester;5-amino-3-methyl-thiophene-2,4-dicarboxylic acid-2-ethyl ester 4-methyl ester;5-Amino-3-methylthiophene-2,4-dicarboxylic acid -2-ethyl ester-4-methyl ester;5-amino-3-methylthiophene-2,4-dicarboxylic acid-2-ethyl ester-4-methyl ester

Chemical Property of 2-Ethyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Chemical Property:

• PSA: 106.86000
• LogP: 2.18320
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(S1)N)C(=O)OC)C

Technology Process of 2-Ethyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

There total 2 articles about 2-Ethyl 4-methyl 5-amino-3-methylthiophene-2,4-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: 82.0%

ethyl acetoacetate (141-97-9) + methyl 2-cyanoacetate (105-34-0) → 2-ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate (77457-04-6)

Guidance literature:

With morpholine; sulfur; In methanol; at 35 - 40 ℃; for 3.5h;

Reference yield: 48.0%

methanol (67-56-1) + ethyl acetoacetate (141-97-9) + cyanoacetic acid (372-09-8) → 2-ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate (77457-04-6)

Guidance literature:

cyanoacetic acid; With dmap; poly(ethylene glycol) 3400; dicyclohexyl-carbodiimide; for 0.0833333h; microwave irradiation;

ethyl acetoacetate; With sulfur; N-ethyl-N,N-diisopropylamine; for 0.333333h; microwave irradiation;

methanol; With potassium cyanide; at 20 ℃;

Reference yield: 80.0%

salicylaldehyde (90-02-8) + 2-ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate (77457-04-6) → 2-ethyl 4-methyl 5-(2-hydroxybenzylideneamino)-3-methylthiophene-2,4-dicarboxylate

Guidance literature:

With sulfuric acid; In ethanol; Reflux;

upstream raw materials:

ethyl acetoacetate

methyl 2-cyanoacetate

methanol

cyanoacetic acid

Downstream raw materials:

3-Methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2,7-dicarboxylic acid 2-ethyl ester 7-methyl ester

2-ethyl 4-methyl 5-(2-hydroxybenzylideneamino)-3-methylthiophene-2,4-dicarboxylate

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