trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Base Information

• Chemical Name: trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS No.: 1228088-30-9
• Molecular Formula: C₂₂H₂₄ClN₅O
• Molecular Weight: 409.918

Synonyms:trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Chemical Property of trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Chemical Property:

• Boiling Point: 597.0±60.0 °C(Predicted)
• Density: 1.39±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

Balovaptan >98% ^*data from reagent suppliers

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Technology Process of trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

There total 24 articles about trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 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: 65.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trans-8-chloro-1-[4-(pyridin-2-yloxy)-cyclohexyl]-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl ester (1228088-28-5) → trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (1228088-30-9)

Guidance literature:

trans-8-chloro-1-[4-(pyridin-2-yloxy)-cyclohexyl]-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl ester; With hydrogenchloride; In methanol; at 50 ℃; for 1h;

formaldehyd; With triethylamine; In methanol; Reflux;

With methanol; sodium cyanoborohydride; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.9b01478

Reference yield:

trans-4-chloro-2-[[methyl-[[5-[4-(2-pyridyloxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]aniline → trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (1228088-30-9)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 60 ℃; for 2.5h;

Reference yield:

trans-4-(pyridin-2-yloxy)-cyclohexanecarboxylic acid hydrazide (1228087-48-6) + 7-chloro-4-methyl-3,5-dihydro-1,4-benzodiazepin-2-amine dihydrochloride → trans-8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (1228088-30-9)

Guidance literature:

In isopropyl alcohol; at 80 - 83 ℃; for 18h;

upstream raw materials:

trans-4-(pyridin-2-yloxy)-cyclohexanecarboxylic acid hydrazide

trans-4-hydroxycyclohexanecarboxylic acid

2-chloropyridine

5-chloro-2-nitrobenzaldehyde

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