NMS-P715

Base Information

• Chemical Name: NMS-P715
• CAS No.: 1202055-32-0
• Molecular Formula: C35H39F3N8O3
• Molecular Weight: 676.742
• Mol file: 1202055-32-0.mol

Synonyms:N-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide;

Chemical Property of NMS-P715

Chemical Property:

• PKA: 11.75±0.70(Predicted)
• PSA: 126.30000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 6.29380

Purity/Quality:

97% ^*data from raw suppliers

NMS-P715 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of NMS-P715

There total 8 articles about NMS-P715 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: 80.0%

4-Amino-1-methylpiperidine (41838-46-4) + 4-({3-[(2,6-diethylphenyl)carbamoyl]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazolin-8-yl}amino)-3-(trifluoromethoxy)benzoic acid (1323157-94-3) → NMS-P715 (1202055-32-0)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2011.05.122

Reference yield:

ethyl 8-amino-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate (802534-49-2) → NMS-P715 (1202055-32-0)

Guidance literature:

Multi-step reaction with 5 steps

1: water; potassium hydroxide / ethanol / 1 h / Reflux

2: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C

3: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; XPhos / 1,4-dioxane / 8 h / 90 °C / Inert atmosphere

4: trifluoroacetic acid / N,N-dimethyl-formamide / 20 °C

5: O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; water; benzotriazol-1-ol; caesium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; potassium hydroxide; XPhos; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide; 3: Buchwald-Hartwig coupling;

DOI:10.1016/j.bmcl.2011.05.122

Reference yield:

4-amino-3-(trifluoromethoxy)benzoic acid (175278-22-5) → NMS-P715 (1202055-32-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: hydrogenchloride; water; sodium nitrite / 0.33 h / 0 °C

1.2: 3 h / 0 °C

2.1: dmap; di-tert-butyl dicarbonate / dichloromethane / 24 h / Reflux

3.1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; XPhos / 1,4-dioxane / 8 h / 90 °C / Inert atmosphere

4.1: trifluoroacetic acid / N,N-dimethyl-formamide / 20 °C

5.1: O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With hydrogenchloride; dmap; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; di-tert-butyl dicarbonate; water; caesium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; sodium nitrite; XPhos; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; 3.1: Buchwald-Hartwig coupling;

DOI:10.1016/j.bmcl.2011.05.122

upstream raw materials:

4-amino-3-(trifluoromethoxy)benzoic acid

4-Amino-1-methylpiperidine

4-({3-[(2,6-diethylphenyl)carbamoyl]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazolin-8-yl}amino)-3-(trifluoromethoxy)benzoic acid

ethyl 8-amino-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

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