Cas no 366452-97-3 (4-nitro-2,3-dihydro-1H-isoindol-1-one)
4-nitro-2,3-dihydro-1H-isoindol-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4-Nitroisoindolin-1-one
- 4-Nitro-1-isoindolinone
- 4-Nitro-2,3-dihydro-isoindol-1-one
- 4-nitro-2,3-dihydroisoindol-1-one
- 4-nitro-2,3-dihydro-1H-isoindol-1-one
- 1H-ISOINDOL-1-ONE, 2,3-DIHYDRO-4-NITRO-
- HIN1745
- RTDDSWLIZLMORY-UHFFFAOYSA-N
- 4655AB
- SBB089381
- AB51010
- 4-Nitro-2, 3-dihydro-isoindol-1-one
- AB1010381
- AB0070013
- ST24023630
- A6321
- AM20040291
- Z2515207
- EN300-300006
- J-515875
- Z1198221041
- SCHEMBL869059
- Y10065
- AC-28869
- EC-0724
- 366452-97-3
- SY112413
- DTXSID90620852
- MFCD09701290
- AKOS005072373
- FT-0726821
- 2,3-Dihydro-4-nitro-1H-isoindol-1-one
- CS-0043689
- 4-NITRO-2,3-DIHYDRO-1H-ISOINDOLIN-1-ONE
-
- MDL: MFCD09701290
- Inchi: 1S/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)
- InChI Key: RTDDSWLIZLMORY-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=C(C=2CN1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 178.03800
- Monoisotopic Mass: 178.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 248
- 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: 74.9
- XLogP3: 0.6
Experimental Properties
- Color/Form: No data available
- Density: 1.5±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 488.8°C at 760 mmHg
- Flash Point: 249.4±28.7 °C
- Refractive Index: 1.632
- PSA: 74.92000
- LogP: 1.69020
4-nitro-2,3-dihydro-1H-isoindol-1-one Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:Sealed in dry,Room Temperature
4-nitro-2,3-dihydro-1H-isoindol-1-one Customs Data
- HS CODE:2933790090
- Customs Data:
China Customs Code:
2933790090Overview:
2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% 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:
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%
4-nitro-2,3-dihydro-1H-isoindol-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N843673-250mg |
4-Nitroisoindolin-1-one |
366452-97-3 | 95% | 250mg |
636.30 | 2021-05-17 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0311-1g |
4-Nitro-2,3-dihydro-isoindol-1-one |
366452-97-3 | 95% | 1g |
1526.48CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0311-5g |
4-Nitro-2,3-dihydro-isoindol-1-one |
366452-97-3 | 95% | 5g |
5257.86CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 48R0311-25g |
4-Nitro-2,3-dihydro-isoindol-1-one |
366452-97-3 | 95% | 25g |
21031.45CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DO557-250mg |
4-nitro-2,3-dihydro-1H-isoindol-1-one |
366452-97-3 | 95+% | 250mg |
664CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DO557-100mg |
4-nitro-2,3-dihydro-1H-isoindol-1-one |
366452-97-3 | 95+% | 100mg |
286CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DO557-1g |
4-nitro-2,3-dihydro-1H-isoindol-1-one |
366452-97-3 | 95+% | 1g |
1667CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DO557-5g |
4-nitro-2,3-dihydro-1H-isoindol-1-one |
366452-97-3 | 95+% | 5g |
5966CNY | 2021-05-08 | |
| Matrix Scientific | 046930-500mg |
4-Nitro-1-isoindolinone, >95% |
366452-97-3 | >95% | 500mg |
$362.00 | 2023-09-09 | |
| Matrix Scientific | 046930-1g |
4-Nitro-1-isoindolinone, >95% |
366452-97-3 | >95% | 1g |
$454.00 | 2023-09-09 |
4-nitro-2,3-dihydro-1H-isoindol-1-one Suppliers
4-nitro-2,3-dihydro-1H-isoindol-1-one Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
Additional information on 4-nitro-2,3-dihydro-1H-isoindol-1-one
Comprehensive Overview of 4-nitro-2,3-dihydro-1H-isoindol-1-one (CAS No. 366452-97-3): Properties, Applications, and Industry Insights
The compound 4-nitro-2,3-dihydro-1H-isoindol-1-one (CAS No. 366452-97-3) is a nitro-substituted isoindolinone derivative that has garnered significant attention in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a nitro group at the 4-position of the isoindolinone core, makes it a versatile intermediate for synthesizing biologically active molecules. Researchers are increasingly exploring its potential in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents.
In recent years, the demand for nitro-heterocyclic compounds like 4-nitro-2,3-dihydro-1H-isoindol-1-one has surged due to their role in addressing global health challenges. The compound's ability to modulate enzymatic activity aligns with current trends in precision medicine and targeted therapy, topics frequently searched in scientific databases. Its structural motif is also relevant to green chemistry initiatives, as researchers seek sustainable methods for nitro-group functionalization.
From a synthetic chemistry perspective, CAS 366452-97-3 serves as a valuable building block for scaffold hopping strategies—a technique widely discussed in AI-driven drug design forums. The compound's electron-deficient aromatic system enables diverse transformations, including palladium-catalyzed cross-coupling reactions, which are pivotal in modern medicinal chemistry. This adaptability answers frequent search queries about "versatile nitro-aromatic intermediates in drug synthesis."
The physicochemical properties of 4-nitro-isoindolinone contribute to its pharmaceutical relevance. With a molecular weight of 178.15 g/mol and moderate lipophilicity, it exhibits favorable drug-like properties—a key consideration in bioavailability optimization studies. Analytical techniques such as HPLC and LC-MS (common search terms in analytical chemistry) are typically employed to characterize its purity, reflecting industry standards for high-value chemical intermediates.
In material science applications, the nitro-isoindolone structure demonstrates intriguing photophysical behavior. Recent publications highlight its potential in organic electronics, particularly as an electron-accepting component in OLED materials—a trending topic in renewable energy discussions. This dual applicability in life sciences and advanced materials positions 366452-97-3 as a compound bridging multiple research domains.
Quality control protocols for 4-nitro-2,3-dihydro-1H-isoindol-1-one emphasize stringent impurity profiling, addressing common industry concerns about process-related impurities in API synthesis. The compound's stability under various storage conditions (a frequently searched practical question) has been documented in accelerated degradation studies, ensuring reliable performance in downstream applications.
Emerging research explores the structure-activity relationship (SAR) of nitro-substituted isoindolinones, with computational chemistry approaches gaining traction. Molecular docking studies (a hot topic in cheminformatics communities) suggest interactions with biological targets involved in inflammatory pathways, potentially answering search queries about "novel anti-inflammatory scaffolds."
The synthesis of CAS 366452-97-3 typically involves nitration of precursor isoindolinones, with recent methodological improvements focusing on atom economy and waste reduction—key phrases in sustainable chemistry searches. Patent literature reveals innovative protection-deprotection strategies for the lactam moiety during functionalization, demonstrating the compound's synthetic versatility.
From a commercial standpoint, 4-nitro-2,3-dihydro-1H-isoindol-1-one suppliers increasingly address FAQs about custom synthesis options and scale-up capabilities, reflecting market demands for flexible procurement solutions. The compound's inclusion in screening libraries for fragment-based drug discovery (a growing search term) further underscores its importance in modern pharmaceutical R&D pipelines.
Ongoing studies investigate the metabolic fate of nitro-isoindolinone derivatives, responding to industry needs for early ADME/Tox profiling. Such data is crucial for researchers querying "nitro-group metabolism in drug candidates." The compound's balanced solubility-permeability characteristics make it particularly interesting for formulation scientists addressing drug delivery challenges.
In conclusion, 4-nitro-2,3-dihydro-1H-isoindol-1-one (CAS No. 366452-97-3) represents a multifaceted chemical entity with expanding applications across therapeutic development and advanced materials. Its scientific relevance continues to grow alongside emerging technologies like AI-assisted molecular design and continuous flow chemistry, positioning it as a compound of enduring interest to researchers and industry professionals alike.
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