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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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1-PYRENEBUTYRIC ACID Suppliers

Americas 1 Belgium 3 Canada 3 China 182 Europe 1 France 3 Germany 7 India 7 Japan 3 Norway 1 Slovakia 1 South Korea 1 Switzerland 3 The Netherlands 1 United Kingdom 11 United States 31 Global 259
TCI Chemicals (India) Pvt. Ltd.
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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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