3-n-Hexylperylene

Base Information

• Chemical Name: 3-n-Hexylperylene
• CAS No.: 7350-91-6
• Molecular Formula: C26H24
• Molecular Weight: 336.47
• NSC Number: 136684
• DSSTox Substance ID: DTXSID90300400
• Nikkaji Number: J113.368C
• Wikidata: Q82043418
• Mol file: 7350-91-6.mol

Synonyms:3-n-Hexylperylene;3-Hexylperylene;Perylene, 3-hexyl-;7350-91-6;3-Hexylperylene #;NSC136684;DTXSID90300400;TZZMLMCAAVPEBH-UHFFFAOYSA-N;NSC-136684

Chemical Property of 3-n-Hexylperylene

Chemical Property:

• Vapor Pressure: 1.41E-10mmHg at 25°C
• Melting Point: 141.8-142.6 °C
• Boiling Point: 524.7°C at 760 mmHg
• Flash Point: 268.8°C
• PSA: 0.00000
• Density: 1.14g/cm³
• LogP: 7.86000
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 336.187800766
• Heavy Atom Count: 26
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5

Technology Process of 3-n-Hexylperylene

There total 11 articles about 3-n-Hexylperylene 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: 100.0%

3-(1-hexynyl)perylene (187537-87-7) → 3-Hexylperylene (7350-91-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/(SICI)1521-3765(19990802)5:8<2388::AID-CHEM2388>3.0.CO;2-2

Reference yield:

3-bromoperylene (23683-68-3) → 3-Hexylperylene (7350-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / piperidine; CuI; Pd(PPh₃)4 / tetrahydrofuran / 14 h / 80 °C

2: 100 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 20 °C

With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; palladium on activated charcoal; In tetrahydrofuran; 1: Alkylation / 2: Catalytic hydrogenation;

DOI:10.1002/(SICI)1521-3765(19990802)5:8<2388::AID-CHEM2388>3.0.CO;2-2

Reference yield:

hex-1-yne (693-02-7) → 3-Hexylperylene (7350-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / piperidine; CuI; Pd(PPh₃)4 / tetrahydrofuran / 14 h / 80 °C

2: 100 percent / H₂ / 10 percent Pd/C / tetrahydrofuran / 20 °C

With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; palladium on activated charcoal; In tetrahydrofuran; 1: Alkylation / 2: Catalytic hydrogenation;

DOI:10.1002/(SICI)1521-3765(19990802)5:8<2388::AID-CHEM2388>3.0.CO;2-2

upstream raw materials:

3-Hexanoyl-perylen

3-(1-hexynyl)perylene

3-bromoperylene

hex-1-yne