2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester

Base Information

• Chemical Name: 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester
• CAS No.: 172292-52-3
• Molecular Formula: C₃₀H₂₉N₃O₃S
• Molecular Weight: 511.645
• Mol file: 172292-52-3.mol

Synonyms:2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester

Chemical Property of 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 696.5±65.0 °C(Predicted)
• Density: 1.20±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-((4-butyl-5-((2''-cyano-[1,1''-biphenyl]-4-yl)methyl)-2-methyl-6-oxopyrimidin-1(6H)-yl)methyl)thiophene-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester

There total 6 articles about 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl 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:

2-methylthiophene-3-carboxylic acid (1918-78-1) → 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester (172292-52-3)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: 75 percent / N-bromosuccinimide, α,α'-azoisobutyronitrile / CCl4 / 3 h / 70 °C

3: 1.) NaH, 2.) LiBr

With N-Bromosuccinimide; sulfuric acid; azobisisobutyronitrile; sodium hydride; lithium bromide; In tetrachloromethane;

DOI:10.1021/jm00024a008

Reference yield:

2-methylthiophene-3-carboxylic acid methyl ester (53562-51-9) → 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester (172292-52-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / N-bromosuccinimide, α,α'-azoisobutyronitrile / CCl4 / 3 h / 70 °C

2: 1.) NaH, 2.) LiBr

With N-Bromosuccinimide; azobisisobutyronitrile; sodium hydride; lithium bromide; In tetrachloromethane;

DOI:10.1021/jm00024a008

Reference yield:

methyl 3-oxoheptanoate (39815-78-6) → 2-[4-Butyl-5-(2'-cyano-biphenyl-4-ylmethyl)-2-methyl-6-oxo-6H-pyrimidin-1-ylmethyl]-thiophene-3-carboxylic acid methyl ester (172292-52-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / NaH / tetrahydrofuran / 10 h

2: 80 percent / CH₃ONa / methanol; dioxane / 20 h / Ambient temperature

3: 1.) NaH, 2.) LiBr

With sodium methylate; sodium hydride; lithium bromide; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1021/jm00024a008

upstream raw materials:

methyl 2-(bromomethyl)thiophene-3-carboxylate

4'-<(6-butyl-1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl><1,1'-biphenyl>-2-carbonitrile

2-methylthiophene-3-carboxylic acid

2-methylthiophene-3-carboxylic acid methyl ester

Downstream raw materials:

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