1-PYRENEBUTYRIC ACID

Product Name: 1-PYRENEBUTYRIC ACID
CAS No.: 3443-45-6
Chemical Name: 1-PYRENEBUTYRIC ACID
Synonyms: PyBA;Pyrenebutyric acid;NSC 30833;1-pyrenebutyrate;Pyrenebutyric aci;Pyren-1-buttersure;1-PYRENEBUTYRIC ACID;pyrene-1-butyric acid;1-Pyrenylbutyric acid;1-PYRENEBUTANOIC ACID
CBNumber: CB0402161
Molecular Formula: C20H16O2
Formula Weight: 288.34
MOL File: 3443-45-6.mol

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1-PYRENEBUTYRIC ACID Property

Melting point:: 184-186 °C (lit.)
Boiling point:: 370.57°C (rough estimate)
Density: 1.1742 (rough estimate)
refractive index: 1.4800 (estimate)
storage temp.: Store below +30°C.
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Crystalline Powder
pka: 4.76±0.10(Predicted)
color: Pale yellow or yellow-beige
Appearance: off white solid
Water Solubility: Partially soluble in water.
BRN: 2140554
InChI: InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChIKey: QXYRRCOJHNZVDJ-UHFFFAOYSA-N
SMILES: C1(CCCC(O)=O)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
CAS DataBase Reference: 3443-45-6(CAS DataBase Reference)
EPA Substance Registry System: 1-Pyrenebutanoic acid (3443-45-6)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38-50
Safety Statements: 26-36-61
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
TSCA: Yes
HS Code: 2916 39 90

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 257354
Product name: 1-Pyrenebutyric acid
Purity: 97%
Packaging: 1g
Price: $103
Updated: 2025/07/31

Sigma-Aldrich

Product number: 257354
Product name: 1-Pyrenebutyric acid
Purity: 97%
Packaging: 5g
Price: $317
Updated: 2025/07/31

Sigma-Aldrich

Product number: 8.41269
Product name: 4-(1-Pyrenyl)-butyric acid
Purity: for synthesis
Packaging: 1g
Price: $105
Updated: 2023/06/20

TCI Chemical

Product number: P1213
Product name: 1-Pyrenebutyric Acid
Purity: >98.0%(GC)(T)
Packaging: 1g
Price: $75
Updated: 2025/07/31

TCI Chemical

Product number: P1213
Product name: 1-Pyrenebutyric Acid
Purity: >98.0%(GC)(T)
Packaging: 5g
Price: $225
Updated: 2025/07/31

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1-PYRENEBUTYRIC ACID Chemical Properties,Usage,Production

Description

Pyrenylbutyric acid is a derivative of pyrene hydrocarbon with a free carboxylic acid function. The reagent is useful as a control for experiments with other reactive pyrene derivatives such as pyrene NHS ester and pyrene azide. Carboxylic acid function can be activated by carbodiimides and other activating reagents.

Chemical Properties

Pale yellow or yellow-beige crystalline powder

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 free radical concentration.

General Description

1-Pyrenebutyric acid (PBA) is a conjugated polymer that has a large π system and a carboxylic group. It is majorly used in surface functionalization. It has a high fluorescence efficiency and stability that make it useful in optoelectronic applications.

Synthesis

7499-60-7

3443-45-6

General procedure for the synthesis of 1-pyrenylbutyric acid from 4-oxo-4-(pyren-1-yl)butyric acid: 1 g (2.78 mmol) of 4-oxo-4-(pyren-1-yl)butyric acid was dissolved in 30 mL of diethylene glycol, to which were added 0.59 g (10 mmol) of hydrazine hydrate and 0.56 g (10 mmol) of KOH.The reaction mixture was heated and refluxed for 2 h. The reaction mixture was subsequently poured into ice hydrochloric acid (25%) to produce a yellow precipitate. The solid was collected by filtration and recrystallized from ethanol to give 570 mg (71% yield) of 4-(pyrene-1-yl)butanoic acid. Molecular formula C20H16O2, molecular weight 288 g/mol. EI-MS: m/z (%) = 289 (16) [MH+], 288 (62) [M], 216 (20), 215 (100), 213 (11). High-resolution EI-MS (C20H16O2): calculated value 288.1150; measured value 288.1150.1H-NMR ([D6]-DMSO): δ (ppm) = 8.50-7.92 (9H, m, CHarom), 3.36 (2H, m, CH2C16H9), 2.41 (2H, m, CH2CO2H), 2.04 (2H, m, CH2CO2H), 2.04 (2H, m, CH2CO2H). 2.04 (2H, m, CH2).1H-NMR (CDCl3): δ (ppm) = 8.32-7.86 (9H, m, CHarom), 3.42 (2H, t, CH2C16H9, 3JHH = 7.57 Hz), 2.51 (2H, t, CH2CO2H, 3JHH = 7.00 Hz), 2.23 (2H, m, CH2, 3JHH = 7.00 Hz), 2.23 (2H, m, CH2, 3JHH = 3JHH). m, CH2, 3JHH = 7.57Hz, 3JHH = 7.00Hz).13C-NMR ([D6]-DMSO): δ (ppm) = 174.74 (1CO), 136.39-123.39 (9 CHarom, 7 Carom), 33.64-26.98 (1CH2CO2H, 2CH2).13C- NMR (CDCl3): δ (ppm) = 177.48 (1CO), 135.25-123.04 (9 CHarom, 7 Carom), 33.21-26.46 (1CH2CO2H, 2CH2).IR (KBr): ν (cm-1) = 3447w, 3037w, 2950m, 2934w, 2874w, 1695s, ν (cm-1) 2874w, 1695s, 1431w, 1275m, 1206m, 918w, 846s, 711w.

Purification Methods

Crystallise the butyric acid from *benzene, EtOH, EtOH/water (7:3 v/v) or *C6H6/AcOH. Dry it over P2O5. [Chu & Thomas J Am Chem Soc 108 6270 1986, Beilstein 9 IV 2731.]

References

[1] Patent: US7301043, 2007, B2. Location in patent: Page/Page column 7-8
[2] ACS Catalysis, 2016, vol. 6, # 11, p. 7398 - 7408
[3] New Journal of Chemistry, 2008, vol. 32, # 8, p. 1438 - 1448
[4] Journal of the American Chemical Society, 1941, vol. 63, p. 1682,1684
[5] Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,128

Abs/Em Maxima

343; 326; 313; 276; 265; 242; 234/377; 397 nm

1-PYRENEBUTYRIC ACID Preparation Products And Raw materials

Raw materials

Diethylene glycol Toluene Pyrene Hydrazine hydrate Succinic anhydride Aluminum chloride Dichloromethane Methanol Thionyl chloride

Preparation Products

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View Lastest Price from 1-PYRENEBUTYRIC ACID manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 1-Pyrenebutyric Acid 3443-45-6
Price: US $8.80-2.20/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-27

Baoji Guokang Healthchem Co., Ltd.

Product: 1-PYRENEBUTYRIC ACID 3443-45-6
Price: US $2860.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1-10mt
Release date: 2021-06-02

Shaanxi Dideu Medichem Co. Ltd

Product: 1-PYRENEBUTYRIC ACID 3443-45-6
Price: US $1.00/Kg
Min. Order: 1Kg
Purity: 98%
Supply Ability: 20T
Release date: 2024-07-25

3443-45-6, 1-PYRENEBUTYRIC ACIDRelated Search:

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1-PYRENEBUTYRIC ACID, FOR FLUORESCENCE

1-Pyrenebutyricacid,97%

pyrene-1-butyric acid

Pyrene-3-butyric acid.

1-Pyrenylbutyric acid

4-(Pyren-1-yl)butyric acid

4-(Pyrene-1-yl)butanoic acid

4-(Pyrene-3-yl)butanoic acid

PyBA

4-(3-Pyrenyl)bytyric acid

1-Pyrenebutyric acid, 97+% 1GR

1-Pyrenebutyric acid, 97+% 5GR

4-(1-Pyrene)butanoic Acid

4-(1-Pyrene)butyric Acid

4-(1-Pyrenyl)butanoic Acid

NSC 30833

γ-(3-Pyrenyl)butyric Acid

4-(pyren-6-yl)butanoic acid

Pyrenebutyric aci

1-Pyrenebutyric acid 97%

Pyren-1-buttersure

1-Pyrenebutyric acid≥ 98% (HPLC)

4-(1-Pyrenyl)-butyric acid for synthesis

Pyrenebutyric acid

1-PYRENEBUTYRIC ACID

1-PYRENEBUTANOIC ACID

4-(PYRENE-1-YL)-N-BUTYRIC ACID

4-(1-PYRENYL)BUTYRIC ACID

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4-(1-pyrenyl)butanoate

1-PyrenebutyricAcid&gt

1-Pyrenebutyric Acid98%

3443-45-6

C20H16O2

Pyrenes

CARBOXYLIC ACID

Fluorescent Labels

Fluorescent Probes, Labels, Particles and Stains

Detection

Other Fluorescent Labels

Biochemicals and Reagents

BioChemical

Pyrenes