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1-PYRENEBUTYRIC ACID

1-PYRENEBUTYRIC ACID structure

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

Molecular Weight:: 288.34

MDL Number:: MFCD00004141

MOL File:: 3443-45-6.mol

Last updated:2025-08-05 17:23:02

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1-PYRENEBUTYRIC ACID Properties

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)
FDA UNII	CT0DC64E8Q
EPA Substance Registry System	1-Pyrenebutanoic acid (3443-45-6)
UNSPSC Code	12352106
NACRES	NA.23

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H315-H319-H335

Precautionary statements

P261-P264-P271-P280-P302+P352-P305+P351+P338

Hazard Codes

Risk Statements

36/37/38-50

Safety Statements

26-36-61

RIDADR

UN 3077 9/PG 3

WGK Germany

TSCA

Yes

HS Code

2916 39 90

NFPA 704

	0
2		0

1-PYRENEBUTYRIC ACID price More Price(17)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	257354	1-Pyrenebutyric acid 97%	3443-45-6	1g	$103	2025-07-31	Buy
Sigma-Aldrich	257354	1-Pyrenebutyric acid 97%	3443-45-6	5g	$317	2025-07-31	Buy
Sigma-Aldrich	8.41269	4-(1-Pyrenyl)-butyric acid for synthesis	3443-45-6	1g	$105	2023-06-20	Buy
TCI Chemical	P1213	1-Pyrenebutyric Acid >98.0%(GC)(T)	3443-45-6	1g	$75	2025-07-31	Buy
TCI Chemical	P1213	1-Pyrenebutyric Acid >98.0%(GC)(T)	3443-45-6	5g	$225	2025-07-31	Buy

Product number	Packaging	Price	Buy
257354	1g	$103	Buy
257354	5g	$317	Buy
8.41269	1g	$105	Buy
P1213	1g	$75	Buy
P1213	5g	$225	Buy

1-PYRENEBUTYRIC ACID Chemical Properties,Uses,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 4-OXO-4-PYREN-1-YL-BUTYRIC ACID

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Preparation Products

7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL

1-PYRENEBUTYRIC ACID Suppliers

Global( 255)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Shaanxi Dideu Medichem Co. Ltd	+86-029-81138252 +86-173 9270 1263	1057@dideu.com	China	3944	58
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD	+86-13017695106 +86-13676922317	jiuyitime@fdachem.com	China	7632	58
Springchem New Material Technology Co.,Limited	+86-021-62885108 +8613917661608	info@spring-chem.com	China	2068	57
Shanghai Daken Advanced Materials Co.,Ltd	+86-2158073036	info@dakenam.com	China	12891	58
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29855	58
SHANDONG ZHI SHANG CHEMICAL CO.LTD	+86 18953170293	sales@sdzschem.com	China	2930	58
Hubei xin bonus chemical co. LTD	86-13657291602	linda@hubeijusheng.com	CHINA	22963	58
career henan chemical co	+86-0371-86658258 +8613203830695	factory@coreychem.com	China	29804	58
Hefei TNJ Chemical Industry Co.,Ltd.	+86-0551-65418671 +8618949823763	sales@tnjchem.com	China	34563	58
ANHUI WITOP BIOTECH CO., LTD	+8615255079626	eric@witopchemical.com	China	23541	58

Supplier	Advantage
Shaanxi Dideu Medichem Co. Ltd	58
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD	58
Springchem New Material Technology Co.,Limited	57
Shanghai Daken Advanced Materials Co.,Ltd	58
career henan chemical co	58
SHANDONG ZHI SHANG CHEMICAL CO.LTD	58
Hubei xin bonus chemical co. LTD	58
career henan chemical co	58
Hefei TNJ Chemical Industry Co.,Ltd.	58
ANHUI WITOP BIOTECH CO., LTD	58

View Lastest Price from 1-PYRENEBUTYRIC ACID manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2025-07-29	1-PYRENEBUTYRIC ACID 3443-45-6	US $2860.00 / KG	1KG	98%	1-10mt	Baoji Guokang Bio-Technology Co., Ltd.
2025-06-28	1-Pyrenebutyric Acid 3443-45-6	US $8.80-2.20 / kg	1kg	99%	100kg	ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
2024-07-25	1-PYRENEBUTYRIC ACID 3443-45-6	US $1.00 / Kg	1Kg	98%	20T	Shaanxi Dideu Medichem Co. Ltd

1-PYRENEBUTYRIC ACID
3443-45-6
US $2860.00 / KG
98%
Baoji Guokang Bio-Technology Co., Ltd.

1-Pyrenebutyric Acid
3443-45-6
US $8.80-2.20 / kg
99%
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

1-PYRENEBUTYRIC ACID
3443-45-6
US $1.00 / Kg
98%
Shaanxi Dideu Medichem Co. Ltd

1-PYRENEBUTYRIC ACID Spectrum

1-PYRENEBUTYRIC ACID(3443-45-6)MS 1-PYRENEBUTYRIC ACID(3443-45-6)¹HNMR 1-PYRENEBUTYRIC ACID(3443-45-6)¹³CNMR 1-PYRENEBUTYRIC ACID(3443-45-6)IR1 1-PYRENEBUTYRIC ACID(3443-45-6)IR2

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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 1-pyrenebutyrate 4-(1-pyrenyl)butanoate 1-PyrenebutyricAcid> 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