Cas no 7651-81-2 (2,3-dihydroisoquinolin-3-one)
2,3-dihydroisoquinolin-3-one Chemical and Physical Properties
Names and Identifiers
-
- Isoquinolin-3(2H)-one
- 3-Isoquinolinol
- 3-Hydroxyisoquinoline
- Isoquinolin-3-ol
- 2,3-dihydroisoquinolin-3-one
- 2H-isoquinolin-3-one
- 3(2H)-Isoquinolinone
- 2H-3-isoquinolone
- zlchem 163
- 3-hydroxy-isoquinoline
- 3-Isoquinolinol(9CI)
- KSC377E0T
- AMPD00234
- ZLB0152
- GYPOFOQUZZUVQL-UHFFFAOYSA-N
- EN300-109187
- MFCD07809542
- PB24595
- AM20061495
- 7651-81-2
- P10536
- A9695
- AKOS006221462
- PS-3533
- AC-7300
- CS-0166779
- Q-102049
- 3-Hydroxyisoquinoline, 99%
- DTXSID20997882
- isoquinolinium-3-oxide
- 134434-31-4
- Z1203731786
- FT-0615844
- H1451
- SY005563
- DS-1766
- isoquinolin-3-ol;3-Hydroxyisoquinoline
- MFCD00075524
- SCHEMBL147859
- CS-W018251
- AKOS005206802
- DB-031214
- DB-339426
- isoquinoline, 3-hydroxy-
-
- MDL: MFCD07809542
- Inchi: 1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11)
- InChI Key: GYPOFOQUZZUVQL-UHFFFAOYSA-N
- SMILES: O=C1C=C2C=CC=CC2=CN1
- BRN: 113230
Computed Properties
- Exact Mass: 145.05300
- Monoisotopic Mass: 145.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 319
- 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: 3
- XLogP3: 0.6
- Topological Polar Surface Area: 29.1
Experimental Properties
- Color/Form: Yellow powder
- Density: 1.2300
- Melting Point: 194°C(lit.)
- Boiling Point: 551.9℃ at 760 mmHg
- Flash Point: 319.4℃
- Refractive Index: 1.642
- PSA: 33.12000
- LogP: 1.94040
2,3-dihydroisoquinolin-3-one Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H302,H318
- Warning Statement: P280,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-41
- Safety Instruction: S26-S37/39
-
Hazardous Material Identification:
- Storage Condition:Inert atmosphere,Room Temperature
- Risk Phrases:R22; R41
- Safety Term:S26;S37/39
2,3-dihydroisoquinolin-3-one Customs Data
- HS CODE:2933499090
- Customs Data:
China Customs Code:
2933499090Overview:
2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2,3-dihydroisoquinolin-3-one 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. | 368954-1G |
2,3-dihydroisoquinolin-3-one |
7651-81-2 | 1g |
¥480.57 | 2023-12-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | H810823-5g |
3-Hydroxyisoquinoline |
7651-81-2 | 97% | 5g |
724.00 | 2021-05-17 | |
| Fluorochem | 208952-1g |
Isoquinolin-3(2H)-one |
7651-81-2 | 95% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 208952-5g |
Isoquinolin-3(2H)-one |
7651-81-2 | 95% | 5g |
£31.00 | 2022-03-01 | |
| Fluorochem | 208952-25g |
Isoquinolin-3(2H)-one |
7651-81-2 | 95% | 25g |
£100.00 | 2022-03-01 | |
| Fluorochem | 208952-100g |
Isoquinolin-3(2H)-one |
7651-81-2 | 95% | 100g |
£271.00 | 2022-03-01 | |
| TRC | H944400-250mg |
3-?Hydroxyisoquinoline |
7651-81-2 | 250mg |
$69.00 | 2023-05-18 | ||
| TRC | H944400-500mg |
3-?Hydroxyisoquinoline |
7651-81-2 | 500mg |
$81.00 | 2023-05-18 | ||
| TRC | H944400-1g |
3-\u200bHydroxyisoquinoline |
7651-81-2 | 1g |
$ 90.00 | 2022-06-04 | ||
| TRC | H944400-5g |
3-?Hydroxyisoquinoline |
7651-81-2 | 5g |
$155.00 | 2023-05-18 |
2,3-dihydroisoquinolin-3-one Suppliers
2,3-dihydroisoquinolin-3-one Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 2,3-dihydroisoquinolin-3-one
Comprehensive Overview of 2,3-Dihydroisoquinolin-3-one (CAS No. 7651-81-2): Properties, Applications, and Research Insights
2,3-Dihydroisoquinolin-3-one (CAS No. 7651-81-2) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and materials science research. This compound, often referred to by its systematic name or the shorthand DIQ-3-one, belongs to the isoquinoline family, a class of nitrogen-containing bicyclic structures known for their diverse biological activities. Researchers and industry professionals frequently search for terms like "2,3-dihydroisoquinolin-3-one synthesis," "CAS 7651-81-2 applications," and "DIQ-3-one derivatives," reflecting its relevance in drug discovery and organic chemistry.
The molecular structure of 2,3-dihydroisoquinolin-3-one features a fused benzene and pyridine ring system with a ketone functional group at the 3-position. This unique arrangement contributes to its versatility as a building block for more complex molecules. Recent studies highlight its role in the development of small-molecule inhibitors targeting enzymes involved in metabolic pathways, aligning with the growing interest in "precision medicine" and "targeted therapies." Additionally, its potential as a precursor for fluorescent probes has sparked inquiries about "DIQ-3-one optical properties" in academic forums.
From a synthetic perspective, CAS 7651-81-2 is often synthesized via cyclization reactions of ortho-substituted phenyl derivatives or through catalytic hydrogenation of isoquinolinone precursors. Optimized protocols for its production are a hot topic, with searches like "green synthesis of dihydroisoquinolinones" gaining traction due to the demand for sustainable chemistry practices. The compound’s stability under physiological conditions also makes it a candidate for "prodrug design," a niche yet rapidly evolving area in medicinal chemistry.
Beyond pharmaceuticals, 2,3-dihydroisoquinolin-3-one has found utility in materials science, particularly in the design of organic semiconductors and coordination polymers. Its ability to act as a ligand for metal ions has been explored in catalysis, resonating with queries about "metal-organic frameworks (MOFs)" and "catalytic C-H activation." These interdisciplinary applications underscore its value in addressing contemporary challenges in energy storage and environmental remediation.
Ongoing research continues to uncover novel derivatives of DIQ-3-one, with computational chemistry playing a pivotal role in predicting their properties. Searches such as "QSAR studies of dihydroisoquinolinones" reflect the integration of AI-driven drug discovery tools in this field. Furthermore, the compound’s low toxicity profile, as indicated by preliminary assays, positions it favorably for further development in biocompatible materials.
In summary, 2,3-dihydroisoquinolin-3-one (CAS No. 7651-81-2) exemplifies the intersection of traditional organic chemistry and modern technological advancements. Its multifaceted applications—from drug scaffolds to functional materials—answer pressing questions in both academic and industrial settings, making it a compound of enduring scientific and commercial interest.
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