2-Acetylpyrrole - ≥99% , CAS No.1072-83-9

CAS: 1072-83-9 Cat. No.: A113378 Peso molecular: 109.13 Beilstein Registry Number: 1882 Número EC: 214-016-2
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
PYRROLE-B-METHYL KETONE | AKOS000120308 | F14878 | 2-Pyrrolyl methyl ketone | F8889-9291 | Ketone, methyl pyrrol-2-yl | FEMA No. 3202 | 5-21-07-00204 (Beilstein Handbook Reference) | METHYL 2-PYRROLYL KETONE [FHFI] | Methyl 2-pyrrolyl ketone | SR-05000002
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
1g
A113378-1g
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9,90US$

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5g
A113378-5g
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25g
A113378-25g
6

21,90US$

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100g
A113378-100g
2

48,90US$

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500g
A113378-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

233,90US$

350,90US$
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

2-Acetylpyrrole undergoes alkylation reaction with alkyl iodide in benzene/solid KOH system in the presence of 18-crown-6 to yield the corresponding 1-alkyl derivative.

2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline

Specifications

Sinónimos
PYRROLE-B-METHYL KETONE | AKOS000120308 | F14878 | 2-Pyrrolyl methyl ketone | F8889-9291 | Ketone, methyl pyrrol-2-yl | FEMA No. 3202 | 5-21-07-00204 (Beilstein Handbook Reference) | METHYL 2-PYRROLYL KETONE [FHFI] | Methyl 2-pyrrolyl ketone | SR-05000002
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488181935
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181935
Sonrisas canónicasCC(=O)C1=CC=CN1
IUPAC Name1-(1H-pyrrol-2-yl)ethanone
InChIKeyIGJQUJNPMOYEJY-UHFFFAOYSA-N
INCHI1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
Isómeros SMILES CC(=O)C1=CC=CN1
WGK Alemania 3
RTECS OB5970000
Peso molecular 109.13
Beilstein 1882
Reaxy-Rn 1882
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1882&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones
Direct ParentAryl alkyl ketones
Alternative Parents Substituted pyrroles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl alkyl ketone - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors methyl ketone - aromatic ketone - pyrroles
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

18 results found

Lot NumberCertificate TypeFechaArticulo
E2629094Certificate of AnalysisJun 09, 2026 A113378
F2207040Certificate of AnalysisMar 11, 2026 A113378
F2207039Certificate of AnalysisMar 11, 2026 A113378
F2207020Certificate of AnalysisMar 11, 2026 A113378
H1401035Certificate of AnalysisFeb 05, 2026 A113378
J2130244Certificate of AnalysisAug 11, 2025 A113378
J2130243Certificate of AnalysisAug 11, 2025 A113378
C2124113Certificate of AnalysisJan 08, 2025 A113378
G2412314Certificate of AnalysisApr 25, 2024 A113378
G2405135Certificate of AnalysisApr 25, 2024 A113378
G1904147Certificate of AnalysisApr 17, 2023 A113378
E2311034Certificate of AnalysisMar 14, 2022 A113378
E2311032Certificate of AnalysisMar 14, 2022 A113378
I2318184Certificate of AnalysisMar 14, 2022 A113378
B2306866Certificate of AnalysisMar 14, 2022 A113378
B2306859Certificate of AnalysisMar 14, 2022 A113378
E2311036Certificate of AnalysisOct 12, 2021 A113378
E2311029Certificate of AnalysisOct 12, 2021 A113378

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Propiedades químicas y físicas
Solubilidadsoluble in water
Punto de ebullición (°C)220°C
Punto de fusión (°C)88-91°C
Peso molecular109.130 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass109.053 Da
Monoisotopic Mass109.053 Da
Topological Polar Surface Area32.900 Ų
Heavy Atom Count8
Formal Charge0
Complexity101.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Yang Yue, Chao Wang, Yashu Chen, Mingming Zheng, Yi Zhang, Qianchun Deng, Qi Zhou.  (2023)  Aroma characteristics of flaxseed milk via GC–MS-O and odor activity value calculation: Imparts and selection of different flaxseed varieties.  FOOD CHEMISTRY,      [PMID:37657337] [10.1016/j.foodchem.2023.137095]
2. Hua Liu, Xingguang Chen, Jian Lu, Dianhui Wu.  (2023)  Evaluation of the differences between low-salt solid-state fermented soy sauce and high-salt diluted-state fermented soy sauce in China: from taste-active compounds and aroma-active compounds to sensory characteristics.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,      [PMID:37574531] [10.1002/jsfa.12924]
3. Caixing Pan, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Exogenous glutamic acid effectively involved in N-(1-deoxy-D-galulos-1-yl)-glutamic acid degradation for simultaneous improvement of both milk-like and baking flavor.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2022.101697]
4. Zhuolin Wang, Qing Xiao, Jinda Zhuang, Tao Feng, Chi-Tang Ho, Shiqing Song.  (2019)  Characterization of Aroma-Active Compounds in Four Yeast Extracts Using Instrumental and Sensory Techniques.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31833769] [10.1021/acs.jafc.9b06751]
5. Chao Wang, Yang Yue, Binhong Yuan, Qianchun Deng, Ye Liu, Qi Zhou.  (2024)  Identification of the key aroma compounds in flaxseed milk using stir bar sorptive extraction, aroma recombination, and omission tests.  FOOD CHEMISTRY,      [PMID:38402765] [10.1016/j.foodchem.2024.138782]
6. Xuelian Yang, Rui Zhang, Zichun Qin, Jintao Yao, Tianxin Zhang.  (2025)  The co-fermentation of Actinomucor elegans and Monascus purpureus for the production of meat flavor with soybean protein.  JOURNAL OF FOOD SCIENCE,  90  (2): (e70020).  [PMID:39898933] [10.1111/1750-3841.70020]
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