Basic information
- CAS
741709-57-9- Standard SMILES
CCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
LARSIMPPYZOXGK-UHFFFAOYSA-N- Molecular formula
- C14H20BNO4
- Average molar mass
- 277.13 g/mol
- Monoisotopic mass
- 277.14853852
Names & identifiers
- Preferred name
- Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
- IUPAC
- ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
- English name
- ethyl 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinate
- Molecular formula
- C14H20BNO4
- Molecular weight
- 277.12
Names & synonyms
741709-57-9ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinateEthyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylateMFCD129234365-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinecarboxylic acid ethyl ester6-(Ethoxycarbonyl)pyridine-3-boronic acid pinacol esterEthyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxylateSCHEMBL16611149DTXSID00433495Ethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinateREB70957AKOS016845283
Show more names
2-Pyridinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
DS-7100SB21524SY286779DB-101108C76370EN300-23999259F327377Z2044750681
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 397.1 · 397.1±27.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.82 · 1.82±0.12(Predicted)
- Appearance
- Light brown to brown Solid
Chemistry & industry
Applications
Uses5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-2-Pyridinecarboxylic Acid Ethyl Ester is a useful research chemical used in the iridium-catalyzed meta-selective C-H borylation of aromatic compounds.
Suppliers41 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
南京代盟化工有限公司
Related reactions
3 records
Compound notes
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