Agn-PC-0KB7VH

Base Information

• Chemical Name: Agn-PC-0KB7VH
• CAS No.: 4874-95-7
• Molecular Formula: C₁₂H₁₃BrN₂O₄
• Molecular Weight: 329.15
• DSSTox Substance ID: DTXSID60365864
• Mol file: 4874-95-7.mol

Synonyms:4874-95-7;AGN-PC-0KB7VH;DTXSID60365864;STK555962;AKOS001135009;AKOS030665797;CCG-350007;AB00744793-01;Z118331712;N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide

Chemical Property of Agn-PC-0KB7VH

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 412.16477390
• Heavy Atom Count: 31
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=NC=C4)N3CC(C)C)C#N

Technology Process of Agn-PC-0KB7VH

There total 2 articles about Agn-PC-0KB7VH 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:

hydrogen ethyl malonate (1071-46-1) + 4-bromobenzoic acid hydrazide (5933-32-4) → N-(4-Brom-benzoyl)-N'-ethoxycarbonylmethylcarbonyl-hydrazin (4874-95-7)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 0 - 20 ℃; for 8h;

DOI:10.1016/j.ejmech.2019.111867

Reference yield:

→ N-(4-Brom-benzoyl)-N'-ethoxycarbonylmethylcarbonyl-hydrazin (4874-95-7)

Guidance literature:

N-(4-Brom-benzoyl)-hydrazin, Toluol oder Xylol, Malonsaeure-ethylester-chlorid, Siedetemp.;

Reference yield:

N-(4-Brom-benzoyl)-N'-ethoxycarbonylmethylcarbonyl-hydrazin (4874-95-7) → [5-(4-bromo-phenyl)-[1,3,4]oxadiazol-2-yl]-acetic acid ethyl ester (5011-98-3)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1016/j.ejmech.2019.111867

upstream raw materials:

hydrogen ethyl malonate

4-bromobenzoic acid hydrazide

Downstream raw materials:

[5-(4-bromo-phenyl)-[1,3,4]oxadiazol-2-yl]-acetic acid ethyl ester