2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate
2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate structure
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Common Name | 2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate | ||
|---|---|---|---|---|
| CAS Number | 108530-10-5 | Molecular Weight | 294.20400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H5F3O5S | Melting Point | 83 °C | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Coumaryl Triflate |
|---|---|
| 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.
| Melting Point | 83 °C |
|---|---|
| Molecular Formula | C10H5F3O5S |
| Molecular Weight | 294.20400 |
| Exact Mass | 293.98100 |
| PSA | 81.96000 |
| LogP | 3.10220 |
| InChIKey | RHZZAJVDTLUWRD-UHFFFAOYSA-N |
| SMILES | O=c1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2o1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932209090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
2-Oxo-2H-chrome... CAS#:108530-10-5 |
| Literature: PTC THERAPEUTICS, INC.; F. HOFFMANN-LA ROCHE AG; WOLL, Matthew G.; CHEN, Guangming; CHOI, Soongyu; DAKKA, Amal; HUANG, Song; KARP, Gary Mitchell; LEE, Chang-Sun; LI, Chunshi; NARASIMHAN, Jana; NARYSHKIN, Nikolai; PAUSHKIN, Sergey; QI, Hongyan; TURPOFF, Anthony A.; WEETALL, Marla L.; WELCH, Ellen; YANG, Tianle; ZHANG, Nanjing; ZHANG, Xiaoyan; ZHAO, Xin; PINARD, Emmanuel; RATNI, Hasane Patent: WO2013/101974 A1, 2013 ; Location in patent: Paragraph 00724; 00725 ; |
|
~74%
2-Oxo-2H-chrome... CAS#:108530-10-5 |
| Literature: Chtchigrovsky, Melanie; Primo, Ana; Gonzalez, Philippe; Molvinger, Karine; Robitzer, Mike; Quignard, Francoise; Taran, Frederic Angewandte Chemie - International Edition, 2009 , vol. 48, # 32 p. 5916 - 5920 |
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~%
2-Oxo-2H-chrome... CAS#:108530-10-5 |
| Literature: Starcevic, Stefan; Brozic, Petra; Turk, Samo; Cesar, Jozko; Lanisnik Rizner, Tea; Gobec, Stanislav Journal of Medicinal Chemistry, 2011 , vol. 54, # 1 p. 248 - 261 |
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~%
2-Oxo-2H-chrome... CAS#:108530-10-5 |
| Literature: Starcevic, Stefan; Brozic, Petra; Turk, Samo; Cesar, Jozko; Lanisnik Rizner, Tea; Gobec, Stanislav Journal of Medicinal Chemistry, 2011 , vol. 54, # 1 p. 248 - 261 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
CAS#:91-64-5
CAS#:190788-61-5
CAS#:87997-39-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. 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: Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia co...
Source: ChEMBL
Target: 11-beta-hydroxysteroid dehydrogenase 1
External Id: CHEMBL1656573
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Name: Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia co...
Source: ChEMBL
Target: 11-beta-hydroxysteroid dehydrogenase 1
External Id: CHEMBL1656574
|
|
Name: Displacement of [3H]estradiol human recombinant 17beta-HSD2 expressed in Escherichia ...
Source: ChEMBL
Target: 11-beta-hydroxysteroid dehydrogenase type 2
External Id: CHEMBL1656575
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Name: Displacement of [3H]estradiol human recombinant 17beta-HSD2 expressed in Escherichia ...
Source: ChEMBL
Target: 11-beta-hydroxysteroid dehydrogenase type 2
External Id: CHEMBL1656576
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (2-oxochromen-7-yl) trifluoromethanesulfonate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 7-Coumaryl Triflate? |
| A: The English name of 7-Coumaryl Triflate is 7-Coumaryl Triflate. |
| Q: What are the upstream materials of 7-Coumaryl Triflate? |
| A: Related upstream materials(CAS) of 7-Coumaryl Triflate: 93-35-6;358-23-6;421-83-0;673-22-3;531-59-9. |
| Q: What is the CAS number of 7-Coumaryl Triflate? |
| A: CAS number of 7-Coumaryl Triflate is 108530-10-5. |
| Q: What English synonyms does 7-Coumaryl Triflate have? |
| A: English synonyms of 7-Coumaryl Triflate: (2-oxochromen-7-yl) trifluoromethanesulfonate. |
| Q: What is the melting point of 7-Coumaryl Triflate? |
| A: Melting point of 7-Coumaryl Triflate is 83 °C. |
| Q: What is the InChIKey of 7-Coumaryl Triflate? |
| A: InChIKey of 7-Coumaryl Triflate is RHZZAJVDTLUWRD-UHFFFAOYSA-N. |
| Q: What is the LogP of 7-Coumaryl Triflate? |
| A: LogP of 7-Coumaryl Triflate is 3.10220. |
| Q: What are the downstream products of 7-Coumaryl Triflate? |
| A: Related downstream products(CAS) of 7-Coumaryl Triflate: 91-64-5;190788-61-5;87997-39-5. |
| Q: What is the molecular formula of 7-Coumaryl Triflate? |
| A: Molecular formula of 7-Coumaryl Triflate is C10H5F3O5S. |
| Q: What is the polar surface area (PSA) of 7-Coumaryl Triflate? |
| A: Polar surface area (PSA) of 7-Coumaryl Triflate is 81.96000. |
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. |