Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate

Base Information

Chemical Name:Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate
CAS No.:546116-60-3
Molecular Formula:C₁₆H₁₃FN₂O₃S
Molecular Weight:332.355
Hs Code.:
DSSTox Substance ID:DTXSID201149784

Synonyms:DTXSID201149784;AKOS003800400;Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate;546116-60-3

Suppliers and Price of Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:332.06309162
Heavy Atom Count:23
Complexity:485

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC#N

Technology Process of Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate

There total 3 articles about Ethyl 2-[(2-cyanoacetyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate 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: 90.0%

: 372-09-8
cyanoacetic acid

: 35978-33-7
ethyl 2-amino-4-(4-fluorophenyl)-thiophene-3-carboxylate

: 546116-60-3
C₁₆H₁₃FN₂O₃S

Guidance literature:: With phosphorus pentachloride; triethylamine; In dichloromethane;
DOI:10.1016/j.bmcl.2007.04.011

Reference yield:

: 403-42-9
1-(4-fluorophenyl)ethanone

: 546116-60-3
C₁₆H₁₃FN₂O₃S

Guidance literature:: Multi-step reaction with 2 steps

1: S; morpholine / ethanol / 60 °C

2: 90 percent / PCl₅; Et₃N / CH₂Cl₂

With morpholine; phosphorus pentachloride; sulfur; triethylamine; In ethanol; dichloromethane;
DOI:10.1016/j.bmcl.2007.04.011

Reference yield:

: 105-56-6
ethyl 2-cyanoacetate

: 546116-60-3
C₁₆H₁₃FN₂O₃S

Guidance literature:: Multi-step reaction with 2 steps

1: S; morpholine / ethanol / 60 °C

2: 90 percent / PCl₅; Et₃N / CH₂Cl₂

With morpholine; phosphorus pentachloride; sulfur; triethylamine; In ethanol; dichloromethane;
DOI:10.1016/j.bmcl.2007.04.011