Cas no 43036-06-2 (1H-Pyrrole-1-propanenitrile)
1H-Pyrrole-1-propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(1H-Pyrrol-1-yl)propanenitrile
- N-(2-Cyanoethyl)Pyrrole
- 1-(2-Cyanoethyl)pyrrole
- 1H-Pyrrole-1-propane
- 1H-Pyrrole-1-propanenitrile
- 3-pyrrol-1-ylpropanenitrile
- NSC 78437
- Pyrrole-1-propionitrile
- 3-(Pyrrol-1-yl)propiononitrile
- N-(2-Cyanoethyl)-pyrrole
- IYOLJLGYJMJLSU-UHFFFAOYSA-N
- N-cyanoethylpyrrole
- NSC78437
- N-(2-cyanoethyl)pyrole
- 3-pyrrol-1-yl-propionitrile
- 3-(1-Pyrrolyl)propionitrile
- 3-(1-pyrrolyl) propionitrile
- 3-(1-pyrrolyl)-propionitrile
- 3-(pyrrol-1-yl)propanenitrile
- 1-(2-Cyanoethyl)-1H-pyrrole
- SCHEMBL536224
- CHEBI:194812
- SB62116
- GS-6571
- NS00031286
- NSC-78437
- CS-W021753
- 43036-06-2
- MFCD00003092
- A872770
- AKOS015898303
- FT-0613500
- DTXSID00195647
- 1-(2-Cyanoethyl)pyrrole, >=99%
- 115112-01-1
- EN300-115981
- EINECS 256-051-6
- 1-Pyrrolepropionitrile
- 43SZ9W4FPB
- SY011924
- 3-(1H-Pyrrol-1-yl)propanenitrile #
- H10352
- ALBB-021294
- DB-004597
-
- MDL: MFCD00003092
- Inchi: 1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
- InChI Key: IYOLJLGYJMJLSU-UHFFFAOYSA-N
- SMILES: N1(C=CC=C1)CCC#N
Computed Properties
- Exact Mass: 120.06900
- Monoisotopic Mass: 120.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 116
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.3
- Topological Polar Surface Area: 28.7
Experimental Properties
- Color/Form: liquid
- Density: 1.048?g/mL?at 25?°C(lit.)
- Boiling Point: 132-133?°C/10?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.51(lit.)
- Solubility: Slightly soluble (3.2 g/l) (25 o C),
- PSA: 28.72000
- LogP: 1.40178
- Solubility: Not determined
1H-Pyrrole-1-propanenitrile Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302-H312-H315-H319-H332-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:UN 2810
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S23
-
Hazardous Material Identification:
- Safety Term:S23
- Risk Phrases:R20/21
- Storage Condition:Sealed in dry,Room Temperature
1H-Pyrrole-1-propanenitrile 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%
1H-Pyrrole-1-propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | C91352-25G |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 25g |
¥2268.42 | 2023-11-14 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | TI231-25g |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 98% | 25g |
¥367.0 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | TI231-5g |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 98% | 5g |
¥100.0 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | TI231-100g |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 98% | 100g |
¥1265.0 | 2022-03-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H840169-25g |
3-(1H-Pyrrol-1-yl)propanenitrile |
43036-06-2 | 98% | 25g |
588.00 | 2021-05-17 | |
| Chemenu | CM197903-25g |
3-(1H-Pyrrol-1-yl)propanenitrile |
43036-06-2 | 95%+ | 25g |
$72 | 2021-08-05 | |
| Chemenu | CM197903-100g |
3-(1H-Pyrrol-1-yl)propanenitrile |
43036-06-2 | 95%+ | 100g |
$268 | 2021-08-05 | |
| Alichem | A109005532-100g |
3-(1H-Pyrrol-1-yl)propanenitrile |
43036-06-2 | 98% | 100g |
$216.30 | 2023-09-01 | |
| TRC | P998545-5g |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 5g |
$ 155.00 | 2022-06-03 | ||
| TRC | P998545-50g |
1H-Pyrrole-1-propanenitrile |
43036-06-2 | 50g |
$ 1230.00 | 2022-06-03 |
1H-Pyrrole-1-propanenitrile Suppliers
1H-Pyrrole-1-propanenitrile Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
Additional information on 1H-Pyrrole-1-propanenitrile
Introduction to 1H-Pyrrole-1-propanenitrile (CAS No. 43036-06-2)
1H-Pyrrole-1-propanenitrile, identified by the chemical compound code CAS No. 43036-06-2, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the pyrrole derivatives, a class of molecules known for their diverse biological activities and structural versatility. The presence of a nitrile group at the propyl-substituted position enhances its reactivity, making it a valuable intermediate in synthetic chemistry and drug development.
The molecular structure of 1H-Pyrrole-1-propanenitrile consists of a five-membered aromatic ring containing nitrogen, with a propyl chain attached to the first carbon atom and a nitrile group at the terminal carbon of the chain. This unique arrangement imparts distinct electronic and steric properties, enabling its utility in various chemical transformations. The compound’s ability to act as a precursor for more complex molecules has made it a subject of extensive study in medicinal chemistry.
In recent years, 1H-Pyrrole-1-propanenitrile has been explored for its potential applications in the synthesis of bioactive molecules. Researchers have leveraged its reactive sites to develop novel scaffolds for pharmacological targets. For instance, studies have demonstrated its role in constructing pyrrole-based inhibitors targeting enzymes involved in inflammatory pathways. These inhibitors have shown promise in preclinical models, highlighting the compound’s therapeutic relevance.
The synthesis of 1H-Pyrrole-1-propanenitrile typically involves multi-step organic reactions, often starting from readily available pyrrole derivatives. Advanced synthetic methodologies, such as cross-coupling reactions and nucleophilic substitutions, have been employed to introduce the propyl and nitrile functionalities efficiently. The optimization of these synthetic routes has enabled large-scale production, facilitating further research and development.
One of the most compelling aspects of 1H-Pyrrole-1-propanenitrile is its role as a building block in medicinal chemistry. Its structural features allow for modifications that can fine-tune biological activity, solubility, and metabolic stability. This flexibility has led to the discovery of several lead compounds with potential applications in treating neurological disorders, infectious diseases, and cancer. The compound’s ability to undergo further functionalization makes it an indispensable tool in drug discovery pipelines.
Recent advancements in computational chemistry have further enhanced the utility of 1H-Pyrrole-1-propanenitrile. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the design of more effective derivatives. These computational approaches complement experimental efforts, accelerating the development of novel therapeutics based on this scaffold.
The pharmacological profile of 1H-Pyrrole-1-propanenitrile derivatives has been extensively studied in vitro and in vivo. Preclinical data suggest that certain analogs exhibit potent activity against specific disease markers while maintaining favorable pharmacokinetic properties. This has spurred interest among pharmaceutical companies looking to develop next-generation drugs based on pyrrole derivatives.
From an industrial perspective, the demand for high-quality 1H-Pyrrole-1-propanenitrile has increased due to its broad applicability. Manufacturers adhere to stringent quality control measures to ensure purity and consistency, meeting the needs of academic and industrial researchers alike. The compound’s stability under various storage conditions also makes it a reliable choice for long-term projects.
The environmental impact of synthesizing and handling 1H-Pyrrole-1-propanenitrile is another area of consideration. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. These sustainable practices align with global initiatives aimed at promoting environmentally responsible chemical manufacturing.
In conclusion, 1H-Pyrrole-1-propanenitrile (CAS No. 43036-06-2) represents a cornerstone in modern pharmaceutical research due to its versatile reactivity and potential therapeutic applications. Its role as an intermediate in drug development underscores its importance in advancing medical science. As research continues to uncover new possibilities, this compound is poised to remain at the forefront of medicinal chemistry innovation.
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