methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate structure
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Common Name | methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate | ||
|---|---|---|---|---|
| CAS Number | 873846-89-0 | Molecular Weight | 330.10700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C15H18BF3O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate |
|---|---|
| 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.
| Molecular Formula | C15H18BF3O4 |
|---|---|
| Molecular Weight | 330.10700 |
| Exact Mass | 330.12500 |
| PSA | 44.76000 |
| LogP | 2.79120 |
| InChIKey | SIWNNYVLNBGRQK-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~11%
methyl 2-(4,4,5... CAS#:873846-89-0 |
| Literature: NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/136442 A1, 2006 ; Location in patent: Page/Page column 90-91 ; WO 2006/136442 A1 |
|
~94%
methyl 2-(4,4,5... CAS#:873846-89-0 |
| Literature: Ishiyama, Tatsuo; Isou, Hironori; Kikuchi, Takao; Miyaura, Norio Chemical Communications, 2010 , vol. 46, # 1 p. 159 - 161 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| BENZOIC ACID,2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)-,METHYL ESTER |
| 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)-BENZOIC ACID,METHYL ESTER |
| CF3(C6H3)C(O)OMe(Bpin) |
| methyl 5-trifluoromethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoate |
| methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trifluoromethylbenzoate |
| 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-trifluoropmethylbenzoic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: Molecular formula of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is C15H18BF3O4. |
| Q: What is the English name of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: The English name of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate. |
| Q: What are the upstream materials of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: Related upstream materials(CAS) of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate: 26107-79-9;73183-34-3;2557-13-3. |
| Q: What is the SMILES notation of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: SMILES notation of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is COC(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1. |
| Q: What is the InChIKey of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: InChIKey of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is SIWNNYVLNBGRQK-UHFFFAOYSA-N. |
| Q: What is the molecular weight of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: Molecular weight of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is 330.10700. |
| Q: What is the LogP of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: LogP of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is 2.79120. |
| Q: What is the polar surface area (PSA) of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: Polar surface area (PSA) of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is 44.76000. |
| Q: What is the CAS number of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate? |
| A: CAS number of methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate is 873846-89-0. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |