2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one

Base Information

• Chemical Name: 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one
• CAS No.: 1361024-52-3
• Molecular Formula: C₄₆H₄₅N₇OS
• Molecular Weight: 743.976
• Mol file: 1361024-52-3.mol

Synonyms:2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one

Chemical Property of 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one

Chemical Property:

• Boiling Point: 872.8±75.0 °C(Predicted)
• Density: 1.17±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one

There total 11 articles about 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one 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: 95.0%

2-(2-n-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylthioacetamide + N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole (124750-51-2) → 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one (1361024-52-3)

Guidance literature:

2-(2-n-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylthioacetamide; With lithium hydride; In hexane; N,N-dimethyl-formamide; at 0 ℃; for 1h; Inert atmosphere;

N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole; In hexane; N,N-dimethyl-formamide; at 70 ℃; for 24h; Inert atmosphere;

Reference yield:

2-n-butyl-5-dimethylaminocarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one (503155-67-7) → 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one (1361024-52-3)

Guidance literature:

With Lawessons reagent; In toluene; Reflux;

DOI:10.1016/j.bmcl.2011.12.116

Reference yield:

pentanonitrile (110-59-8) → 2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one (1361024-52-3)

Guidance literature:

Multi-step reaction with 6 steps

1: hydrogenchloride / methanol / 0 °C

2: sodium ethanolate / ethanol

3: lithium hydride / ethyl acetate; N,N-dimethyl-formamide

4: water; sodium hydroxide / methanol / 20 °C

5: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform

6: Lawessons reagent / toluene / Reflux

With Lawessons reagent; 4-methyl-morpholine; hydrogenchloride; water; sodium ethanolate; lithium hydride; benzotriazol-1-ol; dicyclohexyl-carbodiimide; sodium hydroxide; In methanol; ethanol; chloroform; ethyl acetate; N,N-dimethyl-formamide; toluene;

DOI:10.1016/j.bmcl.2011.12.116

upstream raw materials:

C₁₃H₂₀N₂O₃

C₄₆H₄₄N₆O₃

C₄₄H₄₀N₆O₃

2-n-butyl-5-dimethylaminocarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one

Downstream raw materials:

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