1-Pyrenebutyric acid

Base Information

• Chemical Name: 1-Pyrenebutyric acid
• CAS No.: 3443-45-6
• Deprecated CAS: 1263096-99-6
• Molecular Formula: C20H16O2
• Molecular Weight: 288.346
• Hs Code.: 2916 39 90
• European Community (EC) Number: 222-354-7
• NSC Number: 30833
• UNII: CT0DC64E8Q
• DSSTox Substance ID: DTXSID4063032
• Nikkaji Number: J216.120F
• Wikidata: Q81990443
• ChEMBL ID: CHEMBL1484333
• Mol file: 3443-45-6.mol

Synonyms:1-pyrenebutyrate;1-pyrenebutyric acid;4-(1-pyrene)butyric acid;4-(1-pyrenyl)butyric acid;pyrenebutanoic acid;pyrenebutyric acid

Chemical Property of 1-Pyrenebutyric acid

Chemical Property:

• Appearance/Colour: pale yellow or yellow-beige crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 184-186 °C (lit. )
• Refractive Index: 1.771
• Boiling Point: 515.9 °C at 760 mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 412.3 °C
• PSA: 37.30000
• Density: 1.296 g/cm³
• LogP: 4.99130
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: Partially soluble in water.
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 288.115029749
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

99%, ^*data from raw suppliers

1-Pyrenebutyric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-50
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O
• Uses: 1-Pyrenebutyric Acid is a fluorescent probe used to study proteins, lipids, nucleic acids and other biological systems. The fluorescence lifetime of 1-Pyrenebutyric Acid depends on local oxygen and fr ee radical concentration. 1-Pyrenebutyric Acid is a fluorescent probe used to study proteins, lipids, nucleic acids and other biological systems. The fluorescence lifetime of 1-Pyrenebutyric Acid depends on local oxygen and free radical concentration.

Technology Process of 1-Pyrenebutyric acid

There total 16 articles about 1-Pyrenebutyric acid 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%

4-(1-pyrene)butyric acid methyl ester (70570-29-5) → 1-pyrenebutyric acid (3443-45-6)

Guidance literature:

With barium dihydroxide; In tetrahydrofuran; methanol; at 80 ℃; for 4h;

DOI:10.1055/s-2004-832828

Reference yield: 79.0%

5-(pyren-1-yl)pentan-2-one → 1-pyrenebutyric acid (3443-45-6)

Guidance literature:

With sodium hydroxide; bromine; In 1,4-dioxane; water; at 20 ℃; for 6h;

DOI:10.1002/ejoc.200300217

Reference yield: 71.0%

γ-oxo-1-pyrenebutyric acid (7499-60-7) → 1-pyrenebutyric acid (3443-45-6)

Guidance literature:

γ-oxo-1-pyrenebutyric acid; With potassium hydroxide; hydrazine; In diethylene glycol; for 2h; Heating / reflux;

With hydrogenchloride; In water; diethylene glycol; at 0 ℃;

upstream raw materials:

γ-oxo-1-pyrenebutyric acid

4-(1-pyrene)butanoic acid ethyl ester

4-(1-pyrene)butyric acid methyl ester

1-iodopyrene

Downstream raw materials:

4-nitrophenyl 4-(pyren-1-yl)butanoate

Refernces

Assembling p-type molecules on single wall carbon nanotubes for photovoltaic devices

10.1039/b904863d

The study focuses on the design and synthesis of an oligothiophene molecule, 5TPY, which noncovalently functionalizes single-wall carbon nanotubes (SWNTs) to create a hybrid material for photovoltaic devices. The purpose of this hybrid material is to leverage the excellent electron transfer abilities of SWNTs, their flexibility, and optical transparency to potentially enhance the performance of flexible organic solar cells. The chemicals used in the study include pyrene as the CNT-binding group due to its ability to adsorb to carbon nanotubes through π-π stacking interactions, a quinquethiophene segment as the electronically active segment, and various reagents in the synthesis process such as 2-thiophenecarbonitrile, NBS (N-bromosuccinimide), TFA (Trifluoroacetic acid), 1-pyrenebutyric acid, DPTS (N,N'-Dicyclohexylcarbodiimide), EDCI (1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide), and tributyltin compounds. These chemicals serve to construct the 5TPY molecule and facilitate its assembly around the SWNTs, preserving the electronic properties of the nanotubes for use in photovoltaic applications.

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