7,8-Dihydro-5(6H)-isoquinolinone
7,8-Dihydro-5(6H)-isoquinolinone structure
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Common Name | 7,8-Dihydro-5(6H)-isoquinolinone | ||
|---|---|---|---|---|
| CAS Number | 21917-86-2 | Molecular Weight | 147.174 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 287.4±9.0 °C at 760 mmHg | |
| Molecular Formula | C9H9NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 135.2±26.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7,8-dihydro-6H-isoquinolin-5-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 287.4±9.0 °C at 760 mmHg |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.174 |
| Flash Point | 135.2±26.1 °C |
| Exact Mass | 147.068420 |
| PSA | 29.96000 |
| LogP | 1.19 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.569 |
| InChIKey | AGSMKBYNAKIVTB-UHFFFAOYSA-N |
| SMILES | O=C1CCCc2cnccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933499090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~89%
7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: PALAU PHARMA, S. A. Patent: WO2007/60198 A1, 2007 ; Location in patent: Page/Page column 33 ; WO 2007/060198 A1 |
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~70%
7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: Nicolaou; Baran; Zhong Journal of the American Chemical Society, 2001 , vol. 123, # 13 p. 3183 - 3185 |
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~29%
7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 31 - 35 |
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~%
7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: EP1726590 A1, ; Page/Page column 35 ; |
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7,8-Dihydro-5(6... CAS#:21917-86-2
Learn More
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| Literature: Journal of Medicinal Chemistry, , vol. 36, # 22 p. 3381 - 3385 |
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7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 213 - 220 |
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~%
7,8-Dihydro-5(6... CAS#:21917-86-2 |
| Literature: Synthetic Communications, , vol. 26, # 12 p. 2305 - 2308 |
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Detail
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| Literature: Yakugaku Zasshi, , vol. 76, p. 1308 Chem.Abstr., , p. 5076 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Lipophilicity, log D of the compound at pH 7.4 by UV/Vis spectroscopy based shake-fla...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3588702
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Name: Partition coefficient of buffer-octanol system, logP of the compound by shake-flask m...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3588703
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6,7-dihydroisoquinolin-5(8H)-one |
| 7,8-Dihydro-5(6H)-isoquinolinone |
| 7,8-Dihydro-6H-isochinolin-5-on |
| 7,8-dihydroisoquinolin-5(6H)-one |
| 5-oxo-5,6,7,8-tetrahydroisoquinoline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: Related downstream products(CAS) of 7,8-dihydro-6H-isoquinolin-5-one: 97112-03-3. |
| Q: What is the LogP of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: LogP of 7,8-dihydro-6H-isoquinolin-5-one is 1.19. |
| Q: What English synonyms does 7,8-dihydro-6H-isoquinolin-5-one have? |
| A: English synonyms of 7,8-dihydro-6H-isoquinolin-5-one: 6,7-dihydroisoquinolin-5(8H)-one, 7,8-Dihydro-5(6H)-isoquinolinone, 7,8-Dihydro-6H-isochinolin-5-on, 7,8-dihydroisoquinolin-5(6H)-one, 5-oxo-5,6,7,8-tetrahydroisoquinoline. |
| Q: What is the InChIKey of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: InChIKey of 7,8-dihydro-6H-isoquinolin-5-one is AGSMKBYNAKIVTB-UHFFFAOYSA-N. |
| Q: What is the boiling point of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: Boiling point of 7,8-dihydro-6H-isoquinolin-5-one is 287.4±9.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: SMILES notation of 7,8-dihydro-6H-isoquinolin-5-one is O=C1CCCc2cnccc21. |
| Q: What is the molecular weight of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: Molecular weight of 7,8-dihydro-6H-isoquinolin-5-one is 147.174. |
| Q: What is the English name of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: The English name of 7,8-dihydro-6H-isoquinolin-5-one is 7,8-dihydro-6H-isoquinolin-5-one. |
| Q: What is the CAS number of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: CAS number of 7,8-dihydro-6H-isoquinolin-5-one is 21917-86-2. |
| Q: What is the molecular formula of 7,8-dihydro-6H-isoquinolin-5-one? |
| A: Molecular formula of 7,8-dihydro-6H-isoquinolin-5-one is C9H9NO. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |