4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

Base Information

Chemical Name:4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile
CAS No.:207691-53-0
Molecular Formula:C₂₁H₁₆N₆S₃
Molecular Weight:448.596
Hs Code.:

Synonyms:4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

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Chemical Property of 4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

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Technology Process of 4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

There total 3 articles about 4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile 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: 56.0%

: 103-72-0
phenyl isothiocyanate

: 207691-34-7
4-Amino-2-(4-cyano-benzylsulfanyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

: 207691-53-0
4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 45 ℃; for 3h;
DOI:10.1002/hlca.19980810315

Reference yield:

: 55796-79-7
S-(4-cyanobenzyl)isothiourea hydrobromide

: 207691-53-0
4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / (iPr)2NEt / ethanol / 20 - 75 °C

2: 56 percent / DBU / dimethylformamide / 3 h / 45 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide;
DOI:10.1002/hlca.19980810315

Reference yield:

: 17201-43-3
4-cyanobenzyl bromide

: 207691-53-0
4-(5-Imino-4-methylsulfanyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylsulfanylmethyl)-benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / ethanol / 65 °C

2: 78 percent / (iPr)2NEt / ethanol / 20 - 75 °C

3: 56 percent / DBU / dimethylformamide / 3 h / 45 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide;
DOI:10.1002/hlca.19980810315