1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile

Base Information

• Chemical Name: 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile
• CAS No.: 849663-46-3
• Molecular Formula: C₁₆H₁₃N₅O
• Molecular Weight: 291.312

Synonyms:1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile

Chemical Property of 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile

Chemical Property:

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Technology Process of 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile

There total 2 articles about 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-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: 85.0%

1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxylic acid amide (586353-52-8) → 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile (849663-46-3)

Guidance literature:

With pyridine; trifluoroacetic anhydride; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2005.01.023

Reference yield:

1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxylic acid ethyl ester (586353-03-9) → 1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile (849663-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₃ / methanol / 25 - 60 °C

2: 85 percent / TFAA; pyridine / 0.5 h / 20 °C

With pyridine; ammonium hydroxide; trifluoroacetic anhydride; In methanol;

DOI:10.1016/j.bmcl.2005.01.023

Reference yield: 76.0%

1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carbonitrile (849663-46-3) → N-hydroxy-1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxamidine (849663-47-4)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; for 4h; Heating;

DOI:10.1016/j.bmcl.2005.01.023

upstream raw materials:

1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxylic acid amide

1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxylic acid ethyl ester

Downstream raw materials:

N-hydroxy-1-(4-methoxy-phenyl)-1,4,5,6-tetrahydro-1,2,6,7-tetraaza-as-indacene-3-carboxamidine

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