2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione structure
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Common Name | 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione | ||
|---|---|---|---|---|
| CAS Number | 99337-98-1 | Molecular Weight | 245.274 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 410.1±38.0 °C at 760 mmHg | |
| Molecular Formula | C14H15NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 201.8±26.8 °C | |
Summary: 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione, also known as trans-2-(4-hydroxycyclohexyl)-isindole-1,3-dione, has a CAS number of 99337-98-1, with a molecular formula of C14H15NO3 and a molecular weight of 245.274. It is a white to yellow solid with a boiling point of 410.1±38.0 °C and a density of 1.4±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 410.1±38.0 °C at 760 mmHg |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.274 |
| Flash Point | 201.8±26.8 °C |
| Exact Mass | 245.105194 |
| PSA | 57.61000 |
| LogP | 1.91 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.643 |
| InChIKey | YLHCMDNAKVPTIO-UHFFFAOYSA-N |
| SMILES | C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2925190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
2-(trans-4-Hydr... CAS#:99337-98-1 |
| Literature: BRISTOL-MYERS SQUIBB COMPANY; MARKWALDER, Jay A.; FINK, Brian E.; GAVAI, Ashvinikumar V.; HE, Liqi; KIM, Soong-Hoon; SEITZ, Steven P. Patent: WO2011/123493 A1, 2011 ; Location in patent: Page/Page column 60 ; WO 2011/123493 A1 |
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~87%
2-(trans-4-Hydr... CAS#:99337-98-1 |
| Literature: Glennon, Richard A.; Hong, Seoung-Soo; Bondarev, Mikhail; Law, Ho; Dukat, Malgorzata; Rakhit, Suman; Power, Patricia; Fan, Ermei; Kinneau, Diana; Kamboj, Rajender; Teitler, Milt; Herrick-Davis, Katharine; Smith, Carol Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 314 - 322 |
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~60%
2-(trans-4-Hydr... CAS#:99337-98-1 |
| Literature: NIMBUS IRIS, INC.; ROMERO, Donna L.; WESSEL, Matthew David; ROBINSON, Shaughnessy; GREENWOOD, Jeremy Robert; WATTS, Karl Shawn; FRYE, Leah Lynn; HARRIMAN, Geraldine C.; CORIN, Alan Franklin; MASSE, Craig Patent: WO2012/97013 A1, 2012 ; Location in patent: Page/Page column 137-138 ; WO 2012/097013 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 3 | |
CAS#:104618-32-8
CAS#:919799-80-7
CAS#:64226-27-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2925190090 |
|---|---|
| Summary | 2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione |
| 2-(4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: CAS number of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is 99337-98-1. |
| Q: What is the English name of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: The English name of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione. |
| Q: What is the SMILES notation of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: SMILES notation of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)O. |
| Q: What are the downstream products of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: Related downstream products(CAS) of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione: 104618-32-8;919799-80-7;64226-27-3. |
| Q: What is the polar surface area (PSA) of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: Polar surface area (PSA) of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is 57.61000. |
| Q: What is the LogP of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: LogP of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is 1.91. |
| Q: What is the molecular formula of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: Molecular formula of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is C14H15NO3. |
| Q: What is the InChIKey of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: InChIKey of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is YLHCMDNAKVPTIO-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: Boiling point of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione is 410.1±38.0 °C at 760 mmHg. |
| Q: What are the upstream materials of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione? |
| A: Related upstream materials(CAS) of 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione: 22509-74-6;50910-54-8;27489-62-9;85-44-9. |
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. |