6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

Base Information

Chemical Name:6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one
CAS No.:606971-66-8
Molecular Formula:C₁₇H₁₃ClF₆N₄OS
Molecular Weight:470.826
Hs Code.:

Synonyms:6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

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Chemical Property of 6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

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Technology Process of 6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

There total 5 articles about 6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-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: 68.0%

: C₂₂H₂₁ClF₆N₄O₃S

: 606971-66-8
6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

Guidance literature:: With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 100 ℃; for 1h;

Reference yield:

: 606971-60-2
N-[3,5-bis(trifluoromethyl)benzyl]-N-[2-(t-butoxycarbonylamino)ethyl]-4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylic acid amide

: 606971-66-8
6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: hydrochloric acid / ethanol / 20 °C

2: 8.24 g / potassium carbonate / dimethylformamide / Heating

With hydrogenchloride; potassium carbonate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2005.06.015

Reference yield:

: 6299-25-8
4,6-Dichloro-2-(methylthio)pyrimidine

: 606971-66-8
6-[3,5-bis(trifluoromethyl)benzyl]-4-chloro-2-methylthio-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

Guidance literature:: Multi-step reaction with 5 steps

1.1: lithium diisopropylamide / tetrahydrofuran / 3 h / -78 °C

1.2: 58 percent / tetrahydrofuran / 0.17 h

2.1: thionyl chloride / dimethylformamide / 2 h / Heating

3.1: triethylamine / tetrahydrofuran / 0 - 20 °C

4.1: hydrochloric acid / ethanol / 20 °C

5.1: 8.24 g / potassium carbonate / dimethylformamide / Heating

With hydrogenchloride; thionyl chloride; potassium carbonate; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2005.06.015