1-Pyrenebutylamine

Base Information

• Chemical Name: 1-Pyrenebutylamine
• CAS No.: 205488-15-9
• Molecular Formula: C20H19 N
• Molecular Weight: 273.378
• Hs Code.: 2921499090
• European Community (EC) Number: 803-120-9
• DSSTox Substance ID: DTXSID90391338
• Nikkaji Number: J1.166.815A
• Wikidata: Q82188738
• ChEMBL ID: CHEMBL1474617
• Mol file: 205488-15-9.mol

Synonyms:1-pyrenebutylamine

Chemical Property of 1-Pyrenebutylamine

Chemical Property:

• Melting Point: 50-60°C
• PSA: 26.02000
• LogP: 5.56570
• Storage Temp.: -20°C Freezer
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 273.151749610
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

1-Pyrenebutylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCN
• Uses: 1-Pyrenebutylamine (cas# 205488-15-9) is a compound useful in organic synthesis.

Technology Process of 1-Pyrenebutylamine

There total 6 articles about 1-Pyrenebutylamine 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: 97.0%

4-(1-pyrenyl)butyric amide (71942-36-4) → 4‐(1‐pyrenyl)butanamine (205488-15-9)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; for 1.5h; Heating;

Reference yield: 50.0%

1‐(4‐azidobutyl)pyrene (205488-09-1) → 4‐(1‐pyrenyl)butanamine (205488-15-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 48h;

DOI:10.3390/molecules26165032

Reference yield:

1-pyrenebutyric acid (3443-45-6) → 4‐(1‐pyrenyl)butanamine (205488-15-9)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 0.58 h / 20 °C

2: NH₃ / CH₂Cl₂; dioxane / 1.5 h

3: 493 mg / LiAlH₄ / tetrahydrofuran / 3 h / 20 °C

With lithium aluminium tetrahydride; oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In tetrahydrofuran; 1,4-dioxane; dichloromethane;

DOI:10.1021/ja057449i

upstream raw materials:

4-(1-pyrenyl)butyric amide

1-pyrenebutyric acid

4-(pyren-1-yl)butyryl chloride

4-pyrenylbutanol

Downstream raw materials:

N-(2,5,8,12,15,18-hexaoxanonadec-10-yl)-N′-(4-[1-pyrenyl]butyl)perylene-3,4,9,10-bis(dicarboximide)

N-[4-(1-pyrenyl)butyl]-N′-(2,5,15,18-tetraoxanonadec-10-yl)-perylene-3,4,9,10-bis(dicarboximide)

Refernces

• 1、 Babudri, Francesco,Capodieci, Laura,Colaprico, Erica,Giannelli, Rosa,Omar, Omar Hassan,Operamolla, Alessandra. "Reductive amination reaction for the functionalization of cellulose nanocrystals". . . Retrieved 2021/08/27.
• 2、 Dale, Trevor J.,Rebek Jr., Julius. "Fluorescent sensors for organophosphorus nerve agent mimics". . p. 4500 - 4501. Retrieved 2007/10/03.