Agn-PC-0LP410

Base Information

• Chemical Name: Agn-PC-0LP410
• CAS No.: 7230-18-4
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID30412995
• Mol file: 7230-18-4.mol

Synonyms:7230-18-4;AGN-PC-0LP410;DTXSID30412995

Chemical Property of Agn-PC-0LP410

Chemical Property:

• Vapor Pressure: 2.35E-21mmHg at 25°C
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 599.30355879
• Heavy Atom Count: 45
• Complexity: 862

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)CC3=C(C(=CC(=C3)C)CN(CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)C2)C)C)CC6=CC=CC=C6)O)O

Technology Process of Agn-PC-0LP410

There total 2 articles about Agn-PC-0LP410 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:

1,3-cylohexanedione (504-02-9) → 2-acetylamino-3-hydroxy-cyclohex-2-enone (7230-18-4)

Guidance literature:

Multi-step reaction with 2 steps

1: TsN₃, piperidine / ethanol

2: H₂, AcOH / PtO₂

With piperidine; 4-toluenesulfonyl azide; hydrogen; acetic acid; platinum(IV) oxide; In ethanol;

Reference yield:

C12H14N2O4 (7230-25-3) + acetic anhydride (108-24-7) → 2-acetylamino-3-hydroxy-cyclohex-2-enone (7230-18-4)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide;

Reference yield: 59.0%

2-acetylamino-3-hydroxy-cyclohex-2-enone (7230-18-4) + benzylamine (100-46-9) → 1-benzyl-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one

Guidance literature:

2-acetylamino-3-hydroxy-cyclohex-2-enone; benzylamine; With acetic acid; In water; xylene; for 2h; Heating / reflux;

With hydrogenchloride; In water; xylene; for 1h; pH=3;

With sodium hydrogencarbonate; In water; xylene;

upstream raw materials:

C₁₂H₁₄N₂O₄

acetic anhydride

1,3-cylohexanedione

Downstream raw materials:

1-allyl-5-[1-((4R,5S)-2,2-dimethyl-5-phenyl[1,3]dioxolan-4-yl)methanoyl]-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one