2-(tert-butyldimethylsilyl)-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 137131
• Molecular Formular: C14H19NO2Si
• Molecular Mass: 261.39166
• Monoisotopic Mass: 261.11850539
• SMILES: CC(C)(C)[Si](C)(C)N1C(=O)c2ccccc2C1=O
• Canonical SMILES: CC([Si](N1C(=O)c2c(C1=O)cccc2)(C)C)(C)C
• InChI: InChI=1S/C14H19NO2Si/c1-14(2,3)18(4,5)15-12(16)10-8-6-7-9-11(10)13(15)17/h6-9H,1-5H3
• InChIKey: NJJNRHYJHTYODK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butyldimethylsilyl)-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-(tert-butyldimethylsilyl)isoindole-1,3-dione
• Synonyms: N-(tert-Butyldimethylsilyl)phthalimide; N-(叔丁基二甲基甲硅烷基)邻苯二甲酰亚胺

Database IDs

• CAS Number: 79293-84-8
• MDL Number: MFCD00674006
• PubChem SID: 24867348; 162231396
• PubChem CID: 4549736

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8121
• LogD (pH = 7.4): 2.8121
• Log P: 2.8121
• Molar Refractivity: 69.5773 cm^3
• Polarizability: 28.111904 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-119 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C14H19NO2Si