Cas no 19167-98-7 (2-(1H-Pyrrol-1-yl)acetic acid)
2-(1H-Pyrrol-1-yl)acetic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(1H-Pyrrol-1-yl)acetic acid
- 1H-Pyrrol-1-ylacetic acid
- 1H-Pyrrole-1-acetic acid
- 2-pyrrol-1-ylacetic acid
- 1H-pyrrol-1-ylacetic acid(SALTDATA: FREE)
- 2-pyrrolylacetic acid
- Pyrrol-1-ylacetic acid
- Pyrrole-1-acetic acid
- 2-(1-pyrrolyl)acetic acid
- 2-pyrrol-1-ylethanoic acid
- MFCD00955795
- NSC50134
- AT16135
- SB62545
- 19167-98-7
- 1H-Pyrrol-1-ylacetic acid, AldrichCPR
- EN300-59195
- (1-Pyrryl)acetic Acid
- A815805
- NSC-50134
- FT-0646978
- DTXSID50287288
- (1-pyrryl) acetic acid
- 2-(1H-pyrrol-1-yl)aceticacid
- AKOS000137530
- SCHEMBL463115
- LS-03911
- 1H-Pyrrole-1-aceticacid
- A880363
- F2147-0624
- CHRZYRWWZQCZBV-UHFFFAOYSA-N
- Z245326698
- QV5TE365X8
- Pyrrol-1-yl-acetic acid
- N-azolylacetic acid
- ALBB-012480
- DA-08744
- AE-018/31855041
- STK891526
-
- MDL: MFCD00955795
- Inchi: 1S/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)
- InChI Key: CHRZYRWWZQCZBV-UHFFFAOYSA-N
- SMILES: OC(CN1C=CC=C1)=O
Computed Properties
- Exact Mass: 125.04800
- Monoisotopic Mass: 125.047678
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 108
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 42.2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: 90-92 °C
- Boiling Point: 271.4±23.0 °C at 760 mmHg
- Flash Point: 118.0±22.6 °C
- Refractive Index: 1.542
- PSA: 42.23000
- LogP: 0.57270
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
2-(1H-Pyrrol-1-yl)acetic acid 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:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(1H-Pyrrol-1-yl)acetic acid 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%
2-(1H-Pyrrol-1-yl)acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A109007765-1g |
2-(1H-Pyrrol-1-yl)acetic acid |
19167-98-7 | 95% | 1g |
$187.92 | 2023-09-02 | |
| TRC | B529898-100mg |
1H-Pyrrol-1-ylacetic Acid |
19167-98-7 | 100mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B529898-500mg |
1H-Pyrrol-1-ylacetic Acid |
19167-98-7 | 500mg |
$ 230.00 | 2022-06-07 | ||
| TRC | B529898-1g |
1H-Pyrrol-1-ylacetic Acid |
19167-98-7 | 1g |
$ 340.00 | 2022-06-07 | ||
| Chemenu | CM197629-100mg |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 95%+ | 100mg |
$129 | 2021-08-05 | |
| Chemenu | CM197629-250mg |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 95%+ | 250mg |
$215 | 2021-08-05 | |
| Chemenu | CM197629-1g |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 95%+ | 1g |
$315 | 2021-08-05 | |
| Chemenu | CM197629-10g |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 95%+ | 10g |
$1398 | 2021-08-05 | |
| Matrix Scientific | 062780-500mg |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 500mg |
$394.00 | 2023-09-10 | ||
| Apollo Scientific | OR904643-250mg |
1H-Pyrrol-1-ylacetic acid |
19167-98-7 | 98% | 250mg |
£108.00 | 2025-02-20 |
2-(1H-Pyrrol-1-yl)acetic acid Suppliers
2-(1H-Pyrrol-1-yl)acetic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
Additional information on 2-(1H-Pyrrol-1-yl)acetic acid
Recent Advances in the Application of 2-(1H-Pyrrol-1-yl)acetic acid (CAS: 19167-98-7) in Chemical Biology and Pharmaceutical Research
2-(1H-Pyrrol-1-yl)acetic acid (CAS: 19167-98-7) is a heterocyclic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its pyrrole ring and acetic acid moiety, serves as a crucial building block in the synthesis of various bioactive molecules. Recent studies have explored its potential in drug discovery, medicinal chemistry, and material science, highlighting its importance as a multifunctional scaffold.
A notable study published in the Journal of Medicinal Chemistry (2023) investigated the role of 2-(1H-Pyrrol-1-yl)acetic acid as a precursor in the synthesis of novel kinase inhibitors. The researchers utilized its reactive carboxyl group to conjugate with various pharmacophores, resulting in compounds with enhanced binding affinity and selectivity for specific kinase targets. The study demonstrated that derivatives of 2-(1H-Pyrrol-1-yl)acetic acid exhibited promising anti-proliferative activity against cancer cell lines, suggesting its potential as a lead compound for oncology therapeutics.
In another groundbreaking study, researchers explored the application of 2-(1H-Pyrrol-1-yl)acetic acid in the development of biodegradable polymers for drug delivery systems. The compound's ability to form stable amide bonds with other biocompatible polymers was leveraged to create pH-responsive hydrogels. These hydrogels demonstrated controlled release of therapeutic agents in simulated physiological conditions, making them suitable candidates for targeted drug delivery applications. The findings were published in Advanced Materials (2024), underscoring the compound's utility beyond traditional medicinal chemistry.
Furthermore, recent advancements in computational chemistry have enabled the rational design of 2-(1H-Pyrrol-1-yl)acetic acid derivatives with optimized pharmacokinetic properties. Molecular docking and dynamics simulations have revealed key interactions between these derivatives and biological targets, facilitating the identification of high-affinity ligands. This approach has significantly accelerated the drug discovery process, as evidenced by a study in Nature Communications (2023), which reported the successful virtual screening of 2-(1H-Pyrrol-1-yl)acetic acid-based compounds against SARS-CoV-2 main protease.
Despite these promising developments, challenges remain in the large-scale synthesis and purification of 2-(1H-Pyrrol-1-yl)acetic acid derivatives. Recent efforts have focused on optimizing synthetic routes to improve yield and reduce environmental impact. A study in Green Chemistry (2024) proposed a novel catalytic system for the efficient synthesis of this compound, achieving a 90% yield with minimal waste generation. Such innovations are critical for translating laboratory-scale findings into commercially viable pharmaceutical products.
In conclusion, 2-(1H-Pyrrol-1-yl)acetic acid (CAS: 19167-98-7) continues to be a valuable tool in chemical biology and pharmaceutical research. Its diverse applications, ranging from drug discovery to material science, highlight its significance as a multifunctional scaffold. Future research should focus on addressing synthetic challenges and exploring new therapeutic avenues for its derivatives, ensuring its continued relevance in advancing biomedical science.
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