2-(Dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

Base Information

• Chemical Name: 2-(Dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
• CAS No.: 204133-10-8
• Molecular Formula: C₃₀H₃₂Cl₃NO
• Molecular Weight: 528.949
• DSSTox Substance ID: DTXSID90861046
• ChEMBL ID: CHEMBL3191144
• Mol file: 204133-10-8.mol

Synonyms:HSDB 7210;204133-10-8;CHEMBL3191144;DTXSID90861046;BCP28460;NCGC00167490-02;FT-0651741;FT-0670874;HSDB7210;HSDB-7210;Benflumetol;2-(dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol;2-dibutylamino-1-[2,7-dichloro-9-(4-chlorobenzylidene)-9h-fluoren-4-yl]-ethanol

Chemical Property of 2-(Dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

Chemical Property:

• XLogP3: 8.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 527.154948
• Heavy Atom Count: 35
• Complexity: 671

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O

Technology Process of 2-(Dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

There total 5 articles about 2-(Dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol 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:

2-dibutylamino-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol (69759-61-1) + 4-chlorobenzaldehyde (104-88-1) → lumefantrine (204133-10-8,82186-77-4)

Guidance literature:

With sodium hydroxide; In ethanol; at 30 - 40 ℃; for 24h; Large scale;

Reference yield:

9H-fluorene (86-73-7) → lumefantrine (204133-10-8,82186-77-4)

Guidance literature:

Multi-step reaction with 6 steps

1: hydrogenchloride; chlorine; acetic acid / 10 h / 90 °C / Inert atmosphere; Large scale

2: aluminum (III) chloride / dichloromethane / 8 h / 0 - 5 °C / Large scale

3: sodium tetrahydroborate / ethanol / 3 h / -5 - 5 °C / Large scale

4: sodium ethanolate / ethanol / Large scale

5: 6 h / 140 °C / Large scale

6: sodium hydroxide / ethanol / 24 h / 30 - 40 °C / Large scale

With hydrogenchloride; aluminum (III) chloride; sodium tetrahydroborate; sodium ethanolate; chlorine; acetic acid; sodium hydroxide; In ethanol; dichloromethane;

Reference yield:

2,7-dichloro-9H-fluorene (7012-16-0) → lumefantrine (204133-10-8,82186-77-4)

Guidance literature:

Multi-step reaction with 5 steps

1: aluminum (III) chloride / dichloromethane / 8 h / 0 - 5 °C / Large scale

2: sodium tetrahydroborate / ethanol / 3 h / -5 - 5 °C / Large scale

3: sodium ethanolate / ethanol / Large scale

4: 6 h / 140 °C / Large scale

5: sodium hydroxide / ethanol / 24 h / 30 - 40 °C / Large scale

With aluminum (III) chloride; sodium tetrahydroborate; sodium ethanolate; sodium hydroxide; In ethanol; dichloromethane;

upstream raw materials:

2-dibutylamino-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol

4-chlorobenzaldehyde

9H-fluorene

2,7-dichloro-9H-fluorene

Refernces