Methyl 2-amino-5-ethylthiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-amino-5-ethylthiophene-3-carboxylate
• CAS No.: 19156-63-9
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.24300
• Hs Code.: 2934999090
• European Community (EC) Number: 672-046-5
• DSSTox Substance ID: DTXSID80353167
• Wikidata: Q82130630
• ChEMBL ID: CHEMBL4076375
• Mol file: 19156-63-9.mol

Synonyms:methyl 2-amino-5-ethylthiophene-3-carboxylate;19156-63-9;2-Amino-5-ethylthiophene-3-carboxylic acid methyl ester;2-amino-5-ethyl-thiophene-3-carboxylic acid methyl ester;methyl 2-amino-5-ethyl-3-thiophenecarboxylate;3-Thiophenecarboxylic acid, 2-amino-5-ethyl-, methyl ester;Maybridge3_003216;Oprea1_365499;SCHEMBL1965507;CHEMBL4076375;DTXSID80353167;HMS1440C04;BBL016137;MFCD01313985;STK348719;AKOS000304231;FS-1359;IDI1_014603;NCGC00319420-01;CS-0215176;FT-0678507;Methyl2-amino-5-ethyl-3-thiophenecarboxylate;A18380;EN300-227708;F53613;methyl 2-amino-5-ethyl-thiophene-3-carboxylate;Methyl 5-ethyl-2-amino-thiophene-3-carboxylate;AB01315805-02;AK-968/13779213;J-507942;2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester;F2169-0730;Z275165764;2-Amino-5-ethyl-thiophene-3-carboxylic acid methyl ester, 98%

Chemical Property of Methyl 2-amino-5-ethylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Boiling Point: 298.4oC at 760 mmHg
• Flash Point: 134.3oC
• PSA: 80.56000
• Density: 1.219g/cm3
• LogP: 2.26050
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Amino-5-ethylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(S1)N)C(=O)OC

Technology Process of Methyl 2-amino-5-ethylthiophene-3-carboxylate

There total 3 articles about Methyl 2-amino-5-ethylthiophene-3-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: 95.0%

butyraldehyde (123-72-8) + methyl 2-cyanoacetate (105-34-0) → 2-amino-5-ethylthiophene-3-carboxylic acid methyl ester (19156-63-9)

Guidance literature:

With pyrrolidine; sulfur; In N,N-dimethyl-formamide; at 50 ℃; for 0.5h; Reagent/catalyst; Solvent; Temperature; Microwave irradiation;

DOI:10.3987/COM-21-14513

Reference yield: 91.0%

methanol (67-56-1) + butyraldehyde (123-72-8) + cyanoacetic acid (372-09-8) → 2-amino-5-ethylthiophene-3-carboxylic acid methyl ester (19156-63-9)

Guidance literature:

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

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

methanol; With potassium cyanide; at 20 ℃;

Reference yield:

→ 2-amino-5-ethylthiophene-3-carboxylic acid methyl ester (19156-63-9)

Guidance literature:

upstream raw materials:

methanol

butyraldehyde

cyanoacetic acid

methyl 2-cyanoacetate

Downstream raw materials:

C₁₆H₁₆N₂O₃S

4-oxo-(3H)-6-ethylthieno<2,3-d>pyrimidine