2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
1111096-09-3- Standard SMILES
Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1C#N- InChIKey
ZIYJUOCLRCRPPM-UHFFFAOYSA-N- Molecular formula
- C15H20BNO2
- Average molar mass
- 257.14 g/mol
- Monoisotopic mass
- 257.158709
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzonitrile
- IUPAC
- 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- English name
- 4-Cyano-3,5-dimethylphenylboronic acid pinacol ester
- Molecular formula
- C15H20BNO2
- Molecular weight
- 257.14
Names & synonyms
1111096-09-32,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE4-Cyano-3,5-dimethylphenylboronic acid pinacol esterMFCD12405371SCHEMBL17667860CS-0134963E90721EN300-7408609F6212292,6-DIMETHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILEBenzonitrile, 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1111096-09-3- PubChem CID
- 56973161
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 390.2 · 390.2±42.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
Chemistry & industry
Preparation methods
PreparationThe synthesis of 4-Cyano-3,5-dimethylphenylboronic acid pinacol ester involves the use of bis(pinacolato) diboron and 2,6-dimethylbenzonitrile as starting materials.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…