WR 225448 succinate

Base Information

• Chemical Name: WR 225448 succinate
• CAS No.: 80065-56-1
• Molecular Formula: C27H32F3N3O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID101000955
• ChEMBL ID: CHEMBL1159739
• Mol file: 80065-56-1.mol

Synonyms:8-((4-amino-1-methylbutyl)amino)-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline;WR 225448;WR 225448 fumarate;WR-225448

Chemical Property of WR 225448 succinate

Chemical Property:

• Vapor Pressure: 5.61E-12mmHg at 25°C
• Boiling Point: 546°C at 760 mmHg
• Flash Point: 284°C
• PSA: 69.40000
• Density: 1.236g/cm³
• LogP: 6.67550
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 551.22432024
• Heavy Atom Count: 39
• Complexity: 643

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)O)C(=O)O

Technology Process of WR 225448 succinate

There total 8 articles about WR 225448 succinate 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:

C14H11F3N2O4*ClH (1061346-40-4) → 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline succinate (80065-56-1)

Guidance literature:

Multi-step reaction with 5 steps

1: phosphoric acid / 100 °C

2: palladium on activated charcoal; hydrazine hydrate / ethanol / Reflux

3: sodium tetrahydroborate; acetic acid / 20 °C

4: hydrazine hydrate / ethanol / Reflux

5: ethanol

With sodium tetrahydroborate; phosphoric acid; palladium on activated charcoal; hydrazine hydrate; acetic acid; In ethanol;

DOI:10.1016/j.bmcl.2011.12.108

Reference yield:

6-methoxy-4-methyl-8-nitro-5-<3-(trifluoromethyl)phenoxy>quinoline (82333-37-7) → 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline succinate (80065-56-1)

Guidance literature:

Multi-step reaction with 4 steps

1: palladium on activated charcoal; hydrazine hydrate / ethanol / Reflux

2: sodium tetrahydroborate; acetic acid / 20 °C

3: hydrazine hydrate / ethanol / Reflux

4: ethanol

With sodium tetrahydroborate; palladium on activated charcoal; hydrazine hydrate; acetic acid; In ethanol;

DOI:10.1016/j.bmcl.2011.12.108

Reference yield:

4-acetamino-5-nitro-2-(3-trifluoromethylphenyloxy)anisole (98081-50-6) → 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline succinate (80065-56-1)

Guidance literature:

Multi-step reaction with 6 steps

1: hydrogenchloride; water / ethanol / Reflux

2: phosphoric acid / 100 °C

3: palladium on activated charcoal; hydrazine hydrate / ethanol / Reflux

4: sodium tetrahydroborate; acetic acid / 20 °C

5: hydrazine hydrate / ethanol / Reflux

6: ethanol

With hydrogenchloride; sodium tetrahydroborate; phosphoric acid; palladium on activated charcoal; water; hydrazine hydrate; acetic acid; In ethanol;

DOI:10.1016/j.bmcl.2011.12.108

upstream raw materials:

4-acetamino-5-nitro-2-(3-trifluoromethylphenyloxy)anisole

C₁₄H₁₁F₃N₂O₄*ClH

succinic acid

8-<(4-amino-1-methylbutyl)amino>-6-methoxy-4-methyl-5-<3-(trifluoromethyl)phenoxy>quinoline

Downstream raw materials:

5-(2,4-Dichlorophenoxy)-6-methoxy-4-methyl-8-nitroquinoline

Refernces

• 1、 -. "4-Methyl-5-(unsubstituted and substituted phenoxy)-6-methoxy-8-(aminoalkylamino)quinolines". . . Retrieved 2008/06/13.