Basic information
- CAS
1309982-38-4- Standard SMILES
CC(C)(C)OC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
LJTZQZOLQCVMCV-UHFFFAOYSA-N- Molecular formula
- C16H24BNO4
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 305.1798384
Names & identifiers
- Preferred name
- tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
- IUPAC
- tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
- English name
- 5-(TERT-BUTOXYCARBONYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER
- Molecular formula
- C16H24BNO4
- Molecular weight
- 305.18
Names & synonyms
1309982-38-4tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate5-(tert-Butoxycarbonyl)pyridine-3-boronic acid pinacol estertert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylateMFCD098391693-Pyridinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl esterReaxys ID: 20083024SCHEMBL25408178DTXSID40694487tert-Butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinateAKOS015950268FD10455
Show more names
PS-12947SY255321CS-0369211F7584491,1-Dimethylethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinec...tert-butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
Database identifiers
- CAS
1309982-38-4
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 402.6 · 402.6±30.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.21 · 3.21±0.22(Predicted)
Chemistry & industry
Suppliers16 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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