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:

99.9% ^*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:

(S)-N-{4-(tert-butyldimethylsilanyloxy)-2-[2-(2,2-dimethyl-5-oxo[1,3]dioxolan-4-yl)acetyl]phenyl}-4-(pyren-1-yl)butyramide

(S)-N-{2-[2-(2,2-dimethyl-5-oxo[1,3]dioxolan-4-yl)acetyl]4-hydroxyphenyl}-4-(pyren-1-yl)butyramide

N-[4-(1-pyrene)-butyroyl]-L-phenylalanine

benzopyrene

Refernces

• 1、 Ma, Liang,Baumgartner, Ryan,Zhang, Yanfeng,Song, Ziyuan,Cai, Kaimin,Cheng, Jianjun. "UV-responsive degradable polymers derived from 1-(4-aminophenyl) ethane-1,2-diol". . p. 1161 - 1168. Retrieved 2015.
• 2、 Hahma, Arno,Bhat, Shreedhar,Leivo, Kimmo,Linnanto, Juha,Lahtinen, Manu,Rissanen, Kari. "Pyrene derived functionalized low molecular weight organic gelators and gels". supporting information; body text. p. 1438 - 1448. Retrieved 2009/02/04.