4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester
• CAS No.: 546064-73-7
• Molecular Formula: C₁₆H₁₃BrN₂O₃S
• Molecular Weight: 393.261
• Mol file: 546064-73-7.mol

Synonyms:4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester

Chemical Property of 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester

Chemical Property:

• Boiling Point: 589.1±50.0 °C(Predicted)
• PKA: -3.11±0.10(Predicted)
• Density: 1.525±0.06 g/cm3(Predicted)

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-(4-bromophenyl)-2-[(cyanoacetyl)amino]-thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester

There total 4 articles about 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid 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: 90.0%

2-amino-4-(4-bromo-phenyl)-thiophene-3-carboxylic acid ethyl ester (306934-99-6) + cyanoacetic acid (372-09-8) → 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester (546064-73-7)

Guidance literature:

With phosphorus pentachloride; triethylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2007.04.011

Reference yield:

2-amino-4-(4-bromo-phenyl)-thiophene-3-carboxylic acid ethyl ester (306934-99-6) + cyanoacetic acid chloride (16130-58-8) → 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester (546064-73-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

Reference yield:

para-bromoacetophenone (99-90-1) → 4-(4-bromophenyl)-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester (546064-73-7)

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

upstream raw materials:

2-amino-4-(4-bromo-phenyl)-thiophene-3-carboxylic acid ethyl ester

cyanoacetic acid

para-bromoacetophenone

ethyl 2-cyanoacetate

Downstream raw materials:

3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

4-(4-bromophenyl)-5-chloro-2-(2-cyano-acetylamino)-thiophene-3-carboxylic acid ethyl ester

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