2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester

Base Information

• Chemical Name: 2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester
• CAS No.: 92802-07-8
• Molecular Formula: C14H15NO2S
• Molecular Weight: 261.33900
• DSSTox Substance ID: DTXSID20444109
• Nikkaji Number: J1.018.087B
• Wikidata: Q82262123
• Mol file: 92802-07-8.mol

Synonyms:92802-07-8;2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester;DTXSID20444109;3-(Methylamino)-5-phenyl-2-thiophenecarboxylic acid ethyl ester

Chemical Property of 2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester

Chemical Property:

• PSA: 66.57000
• LogP: 3.70650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC

Technology Process of 2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester

There total 11 articles about 2-Thiophenecarboxylic acid, 3-(methylamino)-5-phenyl-, ethyl ester 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: 94.0%

ethyl 2-(N-tosylhydrazono)acetate + (E)-3-methylamino-3-methylthio-1-phenylprop-2-ene-1-thione (50609-85-3) → ethyl 3-(methylamino)-5-phenylthiophene-2-carboxylate (92802-07-8)

Guidance literature:

With lithium tert-butoxide; In 1,4-dioxane; at 110 ℃; for 3h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201801028

Reference yield: 94.0%

ethyl acetoacetate (141-97-9) + (E)-3-methylamino-3-methylthio-1-phenylprop-2-ene-1-thione (50609-85-3) → ethyl 3-(methylamino)-5-phenylthiophene-2-carboxylate (92802-07-8)

Guidance literature:

With mercury(II) diacetate; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1021/jo981043p

Reference yield: 89.0%

ethyl 3-oxo-3-(3-nitrophenyl)propanoate (52119-38-7) + (E)-3-methylamino-3-methylthio-1-phenylprop-2-ene-1-thione (50609-85-3) → ethyl 3-(methylamino)-5-phenylthiophene-2-carboxylate (92802-07-8)

Guidance literature:

With mercury(II) diacetate; In dichloromethane; at 20 ℃;

DOI:10.1021/jo991884b

upstream raw materials:

(ethoxycarbonylmethyl)dimethylsulfonium bromide

ethyl methanesulfonylacetate

(E)-3-methylamino-3-methylthio-1-phenylprop-2-ene-1-thione

ethyl acetoacetate