3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione

Base Information

• Chemical Name: 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
• CAS No.: 207691-51-8
• Molecular Formula: C₂₀H₂₄ClN₅S₃
• Molecular Weight: 466.095

Synonyms:3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione

Chemical Property of 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione

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Technology Process of 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione

There total 3 articles about 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione 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: 89.0%

1-chloro-3-(isothiocyanatomethyl)benzene (3694-58-4) + 4-Amino-2-hexylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile (207691-33-6) → 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione (207691-51-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; for 18h; Ambient temperature;

DOI:10.1002/hlca.19980810315

Reference yield:

2-hexylisothiourea hydrobromide (4270-01-3) → 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione (207691-51-8)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 89 percent / DBU / dimethylformamide / 18 h / Ambient temperature

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:

[Bis(methylthio)methylene]malononitrile (5147-80-8) → 3-(3-Chloro-benzyl)-7-hexylsulfanyl-4-imino-5-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione (207691-51-8)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 89 percent / DBU / dimethylformamide / 18 h / Ambient temperature

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

upstream raw materials:

1-chloro-3-(isothiocyanatomethyl)benzene

4-Amino-2-hexylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

2-hexylisothiourea hydrobromide

[Bis(methylthio)methylene]malononitrile

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