Cas no 40611-82-3 (Methyl 4-acetyl-1H-pyrrole-2-carboxylate)
Methyl 4-acetyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-acetyl-1H-pyrrole-2-carboxylate
- 1H-Pyrrole-2-carboxylicacid, 4-acetyl-, methyl ester
- 4-acetyl-pyrrole-2-carboxylic acid methyl ester
- methyl 4-acetylpyrrole-2-carboxylate
- methylacetylpyrrolecarboxylate
- CS-0215066
- FT-0680026
- EN300-218347
- MFCD02571735
- AKOS005069619
- 11R-0827
- 40611-82-3
- Z113827772
- SB62550
- DTXSID80377641
- J-522284
- A873277
- SCHEMBL4544324
-
- MDL: MFCD02571735
- Inchi: 1S/C8H9NO3/c1-5(10)6-3-7(9-4-6)8(11)12-2/h3-4,9H,1-2H3
- InChI Key: PHZUPQKYQRXDBE-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC(C(C)=O)=CN1)=O
Computed Properties
- Exact Mass: 167.05800
- Monoisotopic Mass: 167.058243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.2
- XLogP3: 0.6
Experimental Properties
- Density: 1.218
- Melting Point: 118-120°C
- Boiling Point: 340°Cat760mmHg
- Flash Point: 159.4°C
- Refractive Index: 1.531
- PSA: 59.16000
- LogP: 1.00390
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
Methyl 4-acetyl-1H-pyrrole-2-carboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Methyl 4-acetyl-1H-pyrrole-2-carboxylate Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Methyl 4-acetyl-1H-pyrrole-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 043070-1g |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | >95% | 1g |
9800CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 043070-500mg |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | >95% | 500mg |
7899CNY | 2021-05-07 | |
| Alichem | A109006981-1g |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 95% | 1g |
$387.20 | 2023-09-02 | |
| Chemenu | CM197007-1g |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 95% | 1g |
$408 | 2021-08-05 | |
| TRC | M288465-10mg |
methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M288465-50mg |
methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 50mg |
$ 185.00 | 2022-06-04 | ||
| TRC | M288465-100mg |
methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 100mg |
$ 275.00 | 2022-06-04 | ||
| Apollo Scientific | OR32252-1g |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate |
40611-82-3 | 95% | 1g |
£336.00 | 2025-02-20 | |
| abcr | AB157020-500 mg |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate; . |
40611-82-3 | 500 mg |
€290.20 | 2023-07-20 | ||
| abcr | AB157020-1 g |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate; . |
40611-82-3 | 1 g |
€439.20 | 2023-07-20 |
Methyl 4-acetyl-1H-pyrrole-2-carboxylate Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
Additional information on Methyl 4-acetyl-1H-pyrrole-2-carboxylate
Comprehensive Overview of Methyl 4-acetyl-1H-pyrrole-2-carboxylate (CAS No. 40611-82-3)
Methyl 4-acetyl-1H-pyrrole-2-carboxylate (CAS No. 40611-82-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, belonging to the pyrrole family, is characterized by its unique molecular structure, which includes an acetyl group at the 4-position and a carboxylate ester at the 2-position. Its versatility makes it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of bioactive compounds.
In recent years, the demand for pyrrole derivatives has surged due to their widespread applications in drug discovery and material science. Researchers are particularly interested in Methyl 4-acetyl-1H-pyrrole-2-carboxylate because of its potential role in creating novel heterocyclic compounds. These compounds are often explored for their antimicrobial, anti-inflammatory, and anticancer properties, aligning with current trends in precision medicine and sustainable chemistry.
The synthesis of Methyl 4-acetyl-1H-pyrrole-2-carboxylate typically involves multi-step organic reactions, including acylation and esterification processes. Its CAS number 40611-82-3 serves as a unique identifier, ensuring accurate tracking in chemical databases and regulatory frameworks. This is particularly relevant given the growing emphasis on chemical safety and transparency in industrial and academic settings.
One of the most frequently searched questions related to this compound is: "What are the applications of Methyl 4-acetyl-1H-pyrrole-2-carboxylate in drug development?" Studies suggest that this compound can act as a precursor for pharmacologically active molecules, especially those targeting enzyme inhibition or receptor modulation. Its pyrrole core is a common motif in many FDA-approved drugs, highlighting its importance in modern medicinal chemistry.
Another hot topic is the compound's role in green chemistry. With increasing environmental concerns, researchers are exploring eco-friendly synthesis routes for Methyl 4-acetyl-1H-pyrrole-2-carboxylate. Techniques such as catalytic hydrogenation and microwave-assisted synthesis are being investigated to reduce waste and energy consumption. This aligns with the broader industry shift toward sustainable manufacturing practices.
From an analytical perspective, Methyl 4-acetyl-1H-pyrrole-2-carboxylate is often characterized using techniques like NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure purity and confirm structural integrity, which are critical for its use in high-value applications. The compound's CAS No. 40611-82-3 is frequently referenced in patent literature, underscoring its commercial and scientific relevance.
In summary, Methyl 4-acetyl-1H-pyrrole-2-carboxylate (CAS No. 40611-82-3) is a compound of growing importance in multiple scientific disciplines. Its applications span pharmaceuticals, agrochemicals, and material science, making it a subject of ongoing research and innovation. As the scientific community continues to explore its potential, this compound is likely to remain a key player in the development of next-generation chemical solutions.
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