3,4-Dihydroquinolin-2(1H)-one structure
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Common Name | 3,4-Dihydroquinolin-2(1H)-one | ||
|---|---|---|---|---|
| CAS Number | 553-03-7 | Molecular Weight | 147.174 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 328.1±31.0 °C at 760 mmHg | |
| Molecular Formula | C9H9NO | Melting Point | 165-167ºC | |
| MSDS | USA | Flash Point | 189.4±9.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
| Name | 1,2,3,4-Tetrahydroquinolin-2-one |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 328.1±31.0 °C at 760 mmHg |
| Melting Point | 165-167ºC |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.174 |
| Flash Point | 189.4±9.8 °C |
| Exact Mass | 147.068420 |
| PSA | 29.10000 |
| LogP | 1.34 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.564 |
| InChIKey | TZOYXRMEFDYWDQ-UHFFFAOYSA-N |
| SMILES | O=C1CCc2ccccc2N1 |
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Material Safety Data Sheet
Section1. Identification of the substance 3,4-Dihydro-2(1h)-quinolinone Product Name: Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed H315:Causes skin irritation H317:May cause an allergic skin reaction H319:Causes serious eye irritation May cause respiratory irritation H335: P261:Avoid breathing dust/fume/gas/mist/vapours/spray P280:Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. 3,4-Dihydro-2(1h)-quinolinone Ingredient name: CAS number:553-03-7 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Ingestion: Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C9H9NO Molecular weight:147.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H317-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38;R43 |
| Safety Phrases | S26-S36/37 |
| RIDADR | UN 2811 |
| WGK Germany | 2 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| Precursor 10 | |
|---|---|
| DownStream 10 | |
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Synthesis and biological evaluation of a novel sigma-1 receptor antagonist based on 3,4-dihydro-2(1H)-quinolinone scaffold as a potential analgesic.
Eur. J. Med. Chem. 79 , 216-30, (2014) The synthesis and sigma-1 receptor (1R) antagonist activity of a new series of 3,4-dihydro-2(1H)-quinolinone derivatives are reported. The new compounds were evaluated in vitro in sigma-1 and sigma-2 ... |
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Novel approach to 3,4-dihydro-2(1H)-quinolinone derivatives via cyclopropane ring expansion.
Org. Lett. 11(5) , 1043-5, (2009) N-(1'-Alkoxy)cyclopropyl-2-haloanilines are transformed to 3,4-dihydro-2((1)H)-quinolinones via palladium-catalyzed cyclopropane ring expansion. The reaction tolerates a variety of functional groups s... |
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Synthesis of 4-amino-3, 4-dihydro-2 (1H)-quinolinones via β-lactam intermediates on the solid-phase. Pei Y, et al.
Tetrahedron Lett. 38(19) , 3349-52, (1997)
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Inhibition of transglutaminase in human keratinocytes in presence of 10 uM retinal re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4420714
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| Dihydro-α-quinolone |
| 3,4-Dihydroquinolin-2(1H)-one |
| 3,4-dihydro-1H-quinolin-2-one |
| MFCD00016722 |
| 3,4-Dihydro-2(1H)-quinolinone |
| T66 BMVT&J |