Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-

Base Information

• Chemical Name: Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-
• CAS No.: 206184-90-9
• Molecular Formula: C₁₅H₁₂F₁₃N
• Molecular Weight: 453.246
• DSSTox Substance ID: DTXSID50442299
• Wikidata: Q82259505

Synonyms:206184-90-9;Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-;DTXSID50442299;N-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzenemethanamine

Chemical Property of Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 453.0762155
• Heavy Atom Count: 29
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-

There total 5 articles about Benzenemethanamine, N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)- 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:

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (2043-57-4,71215-70-8) → Benzyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-amine (206184-90-9)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium azide; Aliquot 336 / H₂O / Heating

2: H₂ / Pd/C / diethyl ether / 2585.74 Torr

3: NEt₃ / CH₂Cl₂

4: lithium aluminum hydride / tetrahydrofuran

With lithium aluminium tetrahydride; sodium azide; hydrogen; Aliquat 336; triethylamine; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; dichloromethane; water;

DOI:10.1021/jo0617262

Reference yield:

8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (62571-55-5) → Benzyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-amine (206184-90-9)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C / diethyl ether / 2585.74 Torr

2: NEt₃ / CH₂Cl₂

3: lithium aluminum hydride / tetrahydrofuran

With lithium aluminium tetrahydride; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1021/jo0617262

Reference yield:

N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-benzamide → Benzyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-amine (206184-90-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo0617262

upstream raw materials:

benzaldehyde

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamine

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

Downstream raw materials:

2-(3-[benzyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-amino]-1-{2-[benzyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-amino]-ethyl}-propyl)-malonic acid diethyl ester

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