XMD17 109

Base Information

• Chemical Name: XMD17 109
• CAS No.: 1435488-37-1
• Molecular Formula: C36H46N8O3
• Molecular Weight: 638.8
• Hs Code.: 2933599590
• Mol file: 1435488-37-1.mol

Synonyms:XMD17 109;XMD17-109;11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

Chemical Property of XMD17 109

Chemical Property:

• PSA: 100.76000
• LogP: 4.84150
• Storage Temp.: -20°C
• Solubility.: ≥31.95 mg/mL in DMSO; insoluble in H2O; ≥86.6 mg/mL in EtOH

Purity/Quality:

97% ^*data from raw suppliers

ERK5-IN-1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of XMD17 109

There total 4 articles about XMD17 109 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:

C19H30N4O2 (1521197-86-3) + 2-chloro-11-cyclopentyl-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one (1521197-46-5) → 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5b][1,4]benzodiazepin-6-one (1435488-37-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; XPhos; In tert-butyl alcohol; at 100 ℃; Inert atmosphere; Sealed tube;

DOI:10.1016/j.ejmech.2013.10.052

Reference yield:

C18H19ClN4O4 (1521197-42-1) → 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5b][1,4]benzodiazepin-6-one (1435488-37-1)

Guidance literature:

Multi-step reaction with 3 steps

1: iron; acetic acid / 9 h / 60 °C

2: sodium hydride / N,N-dimethyl acetamide; mineral oil / -10 - 0 °C

3: XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate / tert-butyl alcohol / 100 °C / Inert atmosphere; Sealed tube

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; sodium hydride; potassium carbonate; acetic acid; XPhos; In N,N-dimethyl acetamide; mineral oil; tert-butyl alcohol;

DOI:10.1016/j.ejmech.2013.10.052

Reference yield:

ethyl 2-(cyclopentylamino)benzoate (1094227-86-7) → 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5b][1,4]benzodiazepin-6-one (1435488-37-1)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogenchloride / water; 1,4-dioxane / 90 h / 60 °C

2: iron; acetic acid / 9 h / 60 °C

3: sodium hydride / N,N-dimethyl acetamide; mineral oil / -10 - 0 °C

4: XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate / tert-butyl alcohol / 100 °C / Inert atmosphere; Sealed tube

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; sodium hydride; potassium carbonate; acetic acid; XPhos; In 1,4-dioxane; N,N-dimethyl acetamide; water; mineral oil; tert-butyl alcohol;

DOI:10.1016/j.ejmech.2013.10.052

upstream raw materials:

C₁₈H₁₉ClN₄O₄

C₁₉H₃₀N₄O₂

2-chloro-11-cyclopentyl-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one

ethyl 2-(cyclopentylamino)benzoate