2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide

Base Information

• Chemical Name: 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide
• CAS No.: 1505453-59-7
• Molecular Formula: C20H15Cl2N3O2
• Molecular Weight: 400.258
• Mol file: 1505453-59-7.mol

Synonyms:2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide;2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]

Chemical Property of 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide

Chemical Property:

• PSA: 99.30000
• LogP: 4.60730

Purity/Quality:

97% ^*data from raw suppliers

BETBromodomainInhibitor ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide

There total 15 articles about 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide 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:

C24H19ClN4O3 (1505453-68-8) → 2-((4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methyl-1H-pyrazol-4-yl)-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide (1505453-59-7) + C26H24ClN5O2 (1505453-81-5)

Guidance literature:

With 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; ammonium chloride; diisopropylamine; In N,N-dimethyl acetamide; at 0 ℃; for 2h;

Reference yield:

(4S)-tert-butyl 4-(2-(tert-butoxy)-2-oxoethyl)-8-chloro-1-methyl-6-oxo-4H-benzo[c]isoxazolo[4,5-e]azepine-5(6H)-carboxylate (1505453-65-5) → 2-((4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methyl-1H-pyrazol-4-yl)-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide (1505453-59-7) + C26H24ClN5O2 (1505453-81-5)

Guidance literature:

Multi-step reaction with 4 steps

1: tri tert-butylphosphoniumtetrafluoroborate; potassium phosphate monohydrate; water; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere; Sealed tube

2: tetrahydrofuran; diethyl ether / 0.08 h / -40 °C

3: trifluoroacetic acid / chloroform / 24 h / 85 °C

4: ammonium chloride; 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; diisopropylamine / N,N-dimethyl acetamide / 2 h / 0 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium phosphate monohydrate; 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; water; ammonium chloride; diisopropylamine; trifluoroacetic acid; tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; 1,4-dioxane; diethyl ether; chloroform; N,N-dimethyl acetamide;

Reference yield:

tert-butyl 2-((4S)-8-chloro-1-methyl-6-oxo-5,6-dihydro-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetate (1505453-63-3) → 2-((4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methyl-1H-pyrazol-4-yl)-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide (1505453-59-7) + C26H24ClN5O2 (1505453-81-5)

Guidance literature:

Multi-step reaction with 5 steps

1: dmap / tetrahydrofuran / 1 h

2: tri tert-butylphosphoniumtetrafluoroborate; potassium phosphate monohydrate; water; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere; Sealed tube

3: tetrahydrofuran; diethyl ether / 0.08 h / -40 °C

4: trifluoroacetic acid / chloroform / 24 h / 85 °C

5: ammonium chloride; 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; diisopropylamine / N,N-dimethyl acetamide / 2 h / 0 °C

With dmap; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium phosphate monohydrate; 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; water; ammonium chloride; diisopropylamine; trifluoroacetic acid; tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; 1,4-dioxane; diethyl ether; chloroform; N,N-dimethyl acetamide;

upstream raw materials:

(4S)-tert-butyl 4-(2-(tert-butoxy)-2-oxoethyl)-8-chloro-1-methyl-6-oxo-4H-benzo[c]isoxazolo[4,5-e]azepine-5(6H)-carboxylate

tert-butyl 2-((4S)-8-chloro-1-methyl-6-oxo-5,6-dihydro-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetate

methyl 2-(5-((S)-1-amino-3-(tert-butoxy)-3-oxopropyl)-3-methylisoxazol-4-yl)-5-chlorobenzoate

methyl 2-(5-((S)-3-(tert-butoxy)-1-((S)-1,1-dimethylethylsulfinamido)-3-oxopropyl)-3-methylisoxazol-4-yl)-5-chlorobenzoate