Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
• CAS No.: 15854-11-2
• Molecular Formula: C14H15NO3S
• Molecular Weight: 277.344
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30352483
• Wikidata: Q82129653
• ChEMBL ID: CHEMBL2393446
• Mol file: 15854-11-2.mol

Synonyms:ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate;15854-11-2;ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate;MFCD01917484;2-amino-4-(4-methoxy-phenyl)-thiophene-3-carboxylic acid ethyl ester;2-amino-4-(4-methoxyphenyl)-thiophene-3-carboxylic acid ethyl ester;2-Amino-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester;Oprea1_562929;SCHEMBL689196;CHEMBL2393446;DTXSID30352483;3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester;BBL016150;STK348734;AKOS000263606;AS-43179;FT-0678515;EN300-07693;1,3-PROPANEDIAMINE,N,N-BIS(PHENYLMETHYL)-;A883420;SR-01000008844;SR-01000008844-1;F0745-0325;3-Thiophenecarboxylicacid,2-amino-4-(4-methoxyphenyl)-,ethyl ester;Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate, AldrichCPR

Chemical Property of Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.1E-07mmHg at 25°C
• Melting Point: 74 °C
• Refractive Index: 1.596
• Boiling Point: 424.2 °C at 760 mmHg
• PKA: -0.18±0.10(Predicted)
• Flash Point: 210.4 °C
• PSA: 89.79000
• Density: 1.233 g/cm³
• LogP: 3.76380
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 277.07726451
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N

Technology Process of Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

There total 8 articles about Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-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: 48.0%

2-cyano-3-(4-methoxy-phenyl)-crotonic acid ethyl ester (13455-80-6) → ethyl 2-amino-4-(4'-methoxyphenyl) thiophene-3-carboxylate (15854-11-2)

Guidance literature:

With sulfur; triethylamine;

DOI:10.1016/j.saa.2014.04.042

Reference yield: 45.0%

ethyl 2-cyanoacetate (105-56-6) + 1-(4-methoxyphenyl)ethanone (100-06-1) → ethyl 2-amino-4-(4'-methoxyphenyl) thiophene-3-carboxylate (15854-11-2)

Guidance literature:

With morpholine; sulfur; acetic acid; In ethanol;

DOI:10.1055/s-2006-951484

Reference yield: 2.0%

4-methoxy-benzaldehyde (123-11-5) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-amino-4-(4'-methoxyphenyl) thiophene-3-carboxylate (15854-11-2)

Guidance literature:

With morpholine; sulfur; In ethanol; at 80 ℃; for 16h;

upstream raw materials:

ethyl 2-cyanoacetate

1-(4-methoxyphenyl)ethanone

ethyl (Z)-2-cyano-3-(4-methoxyphenyl)-but-2-enoate

morpholine

Downstream raw materials:

[4-Hydroxy-5-(4-methoxy-phenyl)-thieno[2,3-d]pyrimidin-2-yl]-acetic acid ethyl ester

5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one

ethyl 2-amino-5-(phenyldiazenyl)-4-(4'-methoxyphenyl)thiophene-3-carboxylate

ethyl 2-amino-5-(4-methylphenyldiazenyl)-4-(4'-methoxyphenyl)thiophene-3-carboxylate