tert-Butyl (6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamate
Basic information
- CAS
1310404-53-5- Standard SMILES
CC(C)(C)OC(=O)Nc1cnc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
DCHNZMSXFZTTID-UHFFFAOYSA-N- Molecular formula
- C16H24BClN2O4
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.1517651
Names & identifiers
- Preferred name
- tert-Butyl (6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
- English name
- 5-tert-Butyloxycarbonylamino-2-chloropyridine-3-boronic acid pinacol ester
- Molecular formula
- C16H24BClN2O4
- Molecular weight
- 354.64
Names & synonyms
1310404-53-5tert-Butyl (6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamate5-tert-Butyloxycarbonylamino-2-chloropyridine-3-boronic acid pinacol estertert-butyl N-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamatetert-butyl N-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridyl]carbamatetert-Butyl [6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamateMFCD08063060DTXSID00694428AKOS015949629FD10449tert-Butyl(6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamateN-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamic acid tert-butyl ester
Show more names
Carbamic acid, N-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
N-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridyl]carbamic acid tert-butyl estertert-butyl N-[6-chloranyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate
Properties
Computed structural properties
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 425.3 · 425.3±45.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.16 · 12.16±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…