4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

Base Information

Chemical Name:4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile
CAS No.:446253-87-8
Molecular Formula:C₂₂H₁₆N₈S₂
Molecular Weight:456.555
Hs Code.:

4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

Synonyms:4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

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Chemical Property of 4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

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Technology Process of 4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

There total 5 articles about 4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile 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: 77.0%

: 103-72-0
phenyl isothiocyanate

: 446253-83-4
3-cyano-2-hydrazono-N-(α-cyano-β-aminocrotononitrile-y-ylideno)-4,5,6,7-tetrahydrobenzo[b]thiophene

: 446253-87-8
4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; for 3h; Reflux;

Reference yield:

: 3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene-2-diazonium chloride

: 446253-87-8
4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / aq. HCl; acetic acid / 3 h / 0 °C

2: 65 percent / triethylamine / ethanol / 6 h / Heating

With triethylamine; In hydrogenchloride; ethanol; acetic acid;
DOI:10.1002/hc.10003

Reference yield:

: 4651-91-6
3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene

: 446253-87-8
4,5,6,7-tetrahydro-2-[(6-(α-cyano-β-amino-β-yl-acrylonitrilo)-4,5-dihydro-5-imino-4-phenyl-3-thioxo-1,2,4-triazin-2-(3H)-yl)]benzo[b]thiophene-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium nitrite; sulfuric acid; acetic acid / propionic acid / 1 h / 0 °C

1.2: 2 h / 5 °C

2.1: triethylamine / N,N-dimethyl-formamide / 3 h / Reflux

With sulfuric acid; acetic acid; triethylamine; sodium nitrite; In propionic acid; N,N-dimethyl-formamide;