3,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic Acid Pinacol Ester
Basic information
- CAS
1874148-66-9- Standard SMILES
Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1B1OC(C)(C)C(C)(C)O1- InChIKey
AXWJCSNCJUEQKV-UHFFFAOYSA-N- Molecular formula
- C30H33BN2O2
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.2635085
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic Acid Pinacol Ester
- IUPAC
- 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole
- English name
- 3,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic Acid Pinacol Ester
- Molecular formula
- C30H33BN2O2
- Molecular weight
- 464.41
Names & synonyms
1874148-66-93,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic Acid Pinacol EsterMFCD316999093,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazoleC30H33BN2O2AC4989HS-3005F8035043,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-pyrazole3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole3,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic
Show more names
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmeth...1H-Pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-
Database identifiers
- CAS
1874148-66-9- PubChem CID
- 132508552
- Nikkaji
- J3.637.534E
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 604.1 · 604.1±55.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.10(Predicted)
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Compound notes
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