8-Fluorooctylamine

Base Information

• Chemical Name: 8-Fluorooctylamine
• CAS No.: 593-16-8
• Molecular Formula: C8H18FN
• Molecular Weight: 147.2336
• DSSTox Substance ID: DTXSID00208024
• Nikkaji Number: J42.534F
• Wikidata: Q83082095
• Mol file: 593-16-8.mol

Synonyms:8-Fluorooctylamine;8-fluorooctan-1-amine;593-16-8;OCTYLAMINE, 8-FLUORO-;BRN 1735430;4-04-00-00762 (Beilstein Handbook Reference);C8H18FN;SCHEMBL2501735;DTXSID00208024;C8-H18-F-N;AKOS006364248;LS-98147;EN300-7639100

Chemical Property of 8-Fluorooctylamine

Chemical Property:

• Vapor Pressure: 0.464mmHg at 25°C
• Boiling Point: 193.5°Cat760mmHg
• Flash Point: 79.4°C
• PSA: 26.02000
• Density: 0.867g/cm³
• LogP: 2.95550
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 147.142327740
• Heavy Atom Count: 10
• Complexity: 57.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCF)CCCN

Technology Process of 8-Fluorooctylamine

There total 6 articles about 8-Fluorooctylamine 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: 60.0%

2-(8-fluorooctyl)isoindoline-1,3-dione → 8-fluorooctan-1-amine (593-16-8)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.3390/molecules21030387

Reference yield:

diethyl ether (60-29-7,927820-24-4) + 8-fluoro-octanenitrile (408-26-4) → 8-fluorooctan-1-amine (593-16-8)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ja01595a059

Reference yield:

8-chlorooctan-1-ol (23144-52-7) → 8-fluorooctan-1-amine (593-16-8)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 2 h / 160 °C / Inert atmosphere

2: diethylamino-sulfur trifluoride / dichloromethane / 2 h / -40 °C / Inert atmosphere

3: hydrazine hydrate / ethanol / 4 h / 80 °C / Inert atmosphere

With diethylamino-sulfur trifluoride; hydrazine hydrate; In ethanol; dichloromethane; N,N-dimethyl-formamide; 3: |Gabriel Amine Synthesis;

DOI:10.3390/molecules21030387

upstream raw materials:

diethyl ether

8-fluoro-octanenitrile

8-chlorooctan-1-ol

2-(8-hydroxyoctyl)isoindoline-1,3-dione

Refernces

• 1、 Huang, Ying-Cheng,Chang, Yu-Chia,Yeh, Chun-Nan,Yu, Chung-Shan. "Synthesis and biological evaluation of an 18fluorine-labeled COX inhibitor - [18F]fluorooctyl fenbufen amide - For imaging of brain tumors". . . Retrieved 2016/05/09.