Ethyl 2-amino-5-propylthiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-5-propylthiophene-3-carboxylate
• CAS No.: 76575-31-0
• Molecular Formula: C10H15NO2S
• Molecular Weight: 213.301
• Hs Code.: 2934999090
• European Community (EC) Number: 814-595-7
• DSSTox Substance ID: DTXSID40392133
• Wikidata: Q82190101
• Mol file: 76575-31-0.mol

Synonyms:ethyl 2-amino-5-propylthiophene-3-carboxylate;76575-31-0;AKOS MSC-0426;3-Thiophenecarboxylic acid, 2-amino-5-propyl-, ethyl ester;Ethyl2-amino-5-propylthiophene-3-carboxylate;Ethyl 2-amino-5-n-propyl-thiophene-3-carboxylate;SCHEMBL810348;DTXSID40392133;LSUJHERAEYXQKQ-UHFFFAOYSA-N;BBL017593;MFCD01922211;STK459963;AKOS003267930;VS-06310;CS-0455635;FT-0678511;Ethyl 2-amino-5-propyl-3-thiophenecarboxylate;EN300-7391033;A865455;2-amino-5-propyl-3-thiophenecarboxylic acid, ethyl ester;Ethyl 2-amino-5-propylthiophene-3-carboxylate, AldrichCPR

Chemical Property of Ethyl 2-amino-5-propylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.000206mmHg at 25°C
• Boiling Point: 327.2oC at 760 mmHg
• Flash Point: 151.7oC
• PSA: 80.56000
• Density: 1.153g/cm3
• LogP: 3.04070
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-amino-5-propylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(S1)N)C(=O)OCC

Technology Process of Ethyl 2-amino-5-propylthiophene-3-carboxylate

There total 2 articles about Ethyl 2-amino-5-propylthiophene-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: 82.0%

→ ethyl 2-amino-5-propyl-3-thiophenecarboxylate (76575-31-0)

Guidance literature:

Reference yield: 79.3%

pentanal (110-62-3) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-amino-5-propyl-3-thiophenecarboxylate (76575-31-0)

Guidance literature:

With octasulfur; triethylamine; In ethanol; for 12h; Reflux;

DOI:10.1021/acs.jmedchem.7b00275

Reference yield: 75.0%

ethyl 2-amino-5-propyl-3-thiophenecarboxylate (76575-31-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 6-(n-propyl)thieno[2,3-d]pyrimidin-4(3H)-one (439692-81-6)

Guidance literature:

With ammonium acetate; at 145 ℃; for 10h;

DOI:10.1016/j.bmcl.2016.12.074

upstream raw materials:

pentanal

ethyl 2-cyanoacetate

Downstream raw materials:

2-[[(benzoylamino)thioxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid ethyl ester

6-(n-propyl)thieno[2,3-d]pyrimidin-4(3H)-one