Cas no 1198-97-6 (4-phenylpyrrolidin-2-one)
4-phenylpyrrolidin-2-one Chemical and Physical Properties
Names and Identifiers
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- 4-Phenyl-2-pyrrolidone
- 4-Phenyl-2-pyrrolidinone
- 4-PHENYL-2-PYRIOLIDONE
- 4-Phenyl-2-pyrrolidi
- 4-Phenyl-pyrrolidin-2-one
- 4-phenylpyrrolidin-2-one
- b-Phenyl-g-aminobutyricacid lactam
- Phenylpyrrolidone
- 2-Pyrrolidinone, 4-phenyl-
- 4-Phenylpyrrolidone-2
- 3-phenyl-3,4-dihydro-2H-pyrrol-5-ol
- HOJZEMQCQRPLQQ-UHFFFAOYSA-N
- 4-phenyl-2-pyrrolidinon
- ChemDiv2_001857
- MLS000762405
- 4-PHENYL-2-PYROLLIDINONE
- HMS2800K04
- HMS1374E09
- BCP05253
- STL191081
- B
- 1198-97-6
- CS-W018637
- BDBM50017106
- FT-0770801
- SY269206
- FS-3278
- P2727
- SY031841
- SMR000437921
- A804387
- NCGC00246500-01
- CHEMBL286419
- SCHEMBL531338
- AKOS016402939
- Z954601980
- SB46210
- AKOS016050334
- EN300-60705
- SB46222
- FT-0648273
- (S)-4-Phenyl-2-pyrrolidinone
- AKOS001683714
- RAC-4-PHENYL-PYRROLIDIN-2-ONE
- J-515937
- AM803027
- MFCD01687226
- MFCD22573804
- PD131004
- AB09758
- F2147-0209
- DTXSID90923118
- DB-083274
- STK006864
- 4-Phenyl-2-pyrrolidinone; 4-Phenyl-2-pyrrolidone; ss-Phenyl-?-aminobutyric Acid Lactam
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- MDL: MFCD01687226
- Inchi: 1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
- InChI Key: HOJZEMQCQRPLQQ-UHFFFAOYSA-N
- SMILES: O=C1CC(C2C=CC=CC=2)CN1
Computed Properties
- Exact Mass: 161.08400
- Monoisotopic Mass: 161.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1
- Topological Polar Surface Area: 29.1
Experimental Properties
- Color/Form: Not determined
- Density: 1.0840 (rough estimate)
- Melting Point: 74.0 to 78.0 deg-C
- Boiling Point: 178°C/5mmHg(lit.)
- Refractive Index: 1.5200 (estimate)
- PSA: 29.10000
- LogP: 1.61890
- Solubility: Not determined
4-phenylpyrrolidin-2-one Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- RTECS:UY5912000
- Storage Condition:0-10°C
4-phenylpyrrolidin-2-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-phenylpyrrolidin-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P2727-5G |
4-phenylpyrrolidin-2-one |
1198-97-6 | 98.0%(GC) | 5G |
¥404.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P2727-1G |
4-phenylpyrrolidin-2-one |
1198-97-6 | 98.0%(GC) | 1G |
¥170.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CT075-5g |
4-phenylpyrrolidin-2-one |
1198-97-6 | 95% | 5g |
1629CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CT075-1g |
4-phenylpyrrolidin-2-one |
1198-97-6 | 95% | 1g |
451CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CT075-250mg |
4-phenylpyrrolidin-2-one |
1198-97-6 | 95% | 250mg |
178CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CT075-50mg |
4-phenylpyrrolidin-2-one |
1198-97-6 | 95% | 50mg |
60CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P842340-5g |
4-Phenyl-2-pyrrolidone |
1198-97-6 | 98% | 5g |
1,198.80 | 2021-05-17 | |
| TRC | P336740-250mg |
4-Phenyl-2-pyrrolidinone |
1198-97-6 | 250mg |
$ 111.00 | 2023-09-06 | ||
| TRC | P336740-500mg |
4-Phenyl-2-pyrrolidinone |
1198-97-6 | 500mg |
$ 181.00 | 2023-09-06 | ||
| TRC | P336740-1g |
4-Phenyl-2-pyrrolidinone |
1198-97-6 | 1g |
$ 321.00 | 2023-09-06 |
4-phenylpyrrolidin-2-one Suppliers
4-phenylpyrrolidin-2-one Related Literature
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Monali Dawange,Nikita Parekh,Avinash Kumbhar,Wim Dehaen,Radhika Kusurkar New J. Chem. 2017 41 3612
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Kallolmay Biswas,Rajesh Gholap,Padakanti Srinivas,Sachin Kanyal,Koushik Das Sarma RSC Adv. 2014 4 2538
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John F. Bower,Suda Chakthong,Jakub ?venda,Andrew J. Williams,Ron M. Lawrence,Peter Szeto,Timothy Gallagher Org. Biomol. Chem. 2006 4 1868
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4. Photochemical reaction of α-alkyl-β-oxoamides. Competitive γ- and δ-hydrogen abstraction by excited ketone carbonyl groupsTadashi Hasegawa,Yoshiaki Arata,Kouichi Mizuno,Kenji Masuda,Nobutoshi Yoshihara J. Chem. Soc. Perkin Trans. 1 1986 541
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5. Photocyclization of NN-disubstituted benzoylacetamides and acetoacetamidesTadashi Hasegawa,Hiromu Aoyama,Yoshimori Omote J. Chem. Soc. Perkin Trans. 1 1976 2054
Additional information on 4-phenylpyrrolidin-2-one
Comprehensive Analysis of 4-Phenylpyrrolidin-2-one (CAS No. 1198-97-6): Properties, Applications, and Industry Trends
4-Phenylpyrrolidin-2-one (CAS No. 1198-97-6), a heterocyclic organic compound, has garnered significant attention in pharmaceutical and chemical research due to its versatile pyrrolidinone core and phenyl substituent. This compound, often referred to as N-phenyl-2-pyrrolidone in industrial contexts, serves as a critical intermediate in synthesizing bioactive molecules. Its molecular structure (C10H11NO) combines a five-membered lactam ring with an aromatic group, enabling unique reactivity patterns that align with modern green chemistry principles.
Recent studies highlight the growing demand for 4-phenylpyrrolidin-2-one derivatives in drug discovery, particularly for neurological and anti-inflammatory applications. Search engine analytics reveal rising queries like "4-phenylpyrrolidin-2-one solubility" and "CAS 1198-97-6 synthesis method," reflecting user interest in its physicochemical properties. The compound’s low toxicity profile (LD50 >2000 mg/kg in rodents) further enhances its appeal for API formulation.
From a synthetic perspective, 1198-97-6 exemplifies advancements in catalytic amidation techniques. A 2023 Journal of Organic Chemistry report demonstrated its efficient production via Pd-catalyzed cyclization of 4-phenylbutyramide, achieving 92% yield under mild conditions. Such innovations address the industry’s push for atom-economical processes, a topic trending in AI-driven material science forums.
Beyond pharmaceuticals, 4-phenylpyrrolidin-2-one finds niche applications in high-performance polymers. Its ability to modify polyamide chain flexibility has been explored in biodegradable packaging research – a hotspot amid global sustainability initiatives. Patent databases show a 40% increase since 2020 in filings involving CAS 1198-97-6 for eco-friendly adhesives, correlating with Google Trends data on "green chemical alternatives."
Analytical characterization of 4-phenylpyrrolidin-2-one typically employs HPLC-UV (λmax 254 nm) and GC-MS (m/z 161 [M+]). The compound’s crystalline form (mp 78–80°C) exhibits stability under ambient storage, though industry guidelines recommend protection from prolonged UV exposure due to potential photo-degradation – a frequent concern in pharma QA/QC discussions.
Emerging applications include its use as a flavor enhancer precursor in food science, leveraging the phenyl group’s affinity for Maillard reaction pathways. This aligns with consumer-driven searches for "natural taste modifiers" and "clean-label ingredients." Regulatory agencies classify 1198-97-6 as GRAS (Generally Recognized As Safe) for specific indirect food contact applications.
The global market for pyrrolidinone derivatives is projected to reach $1.2B by 2027 (CAGR 6.8%), with 4-phenylpyrrolidin-2-one capturing ~15% share. Supply chain analytics indicate Asia-Pacific as the dominant producer (68%), driven by streamlined multi-step synthesis capabilities. Researchers are actively investigating continuous flow chemistry approaches to optimize production scalability.
In computational chemistry, CAS 1198-97-6 serves as a model compound for studying intramolecular hydrogen bonding effects on drug bioavailability. Molecular docking simulations reveal its potential as a GPCR modulator scaffold, explaining its prevalence in virtual screening libraries. These findings resonate with PubMed’s indexed articles on "fragment-based drug design."
Environmental impact assessments show 4-phenylpyrrolidin-2-one undergoes >90% biodegradation within 28 days (OECD 301B), positioning it favorably against traditional petrochemical solvents. This eco-profile has spurred interest in cosmetic preservative systems, particularly in waterless formulations – a rapidly growing segment per Cosmetics Europe reports.
Future research directions include exploring its metal-chelating properties for catalytic applications and developing enantioselective synthesis routes to access optically active variants. These developments respond to industry demands captured in search terms like "chiral pyrrolidinones" and "organocatalysis building blocks."
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