(4-methoxyphenyl)dimethylsilanol

• ChemBase ID: 141353
• Molecular Formular: C9H14O2Si
• Molecular Mass: 182.29176
• Monoisotopic Mass: 182.07630622
• SMILES: COc1ccc(cc1)[Si](C)(C)O
• Canonical SMILES: COc1ccc(cc1)[Si](O)(C)C
• InChI: InChI=1S/C9H14O2Si/c1-11-8-4-6-9(7-5-8)12(2,3)10/h4-7,10H,1-3H3
• InChIKey: DDLYKNBMTGBOQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)dimethylsilanol
• IUPAC Traditional name: (4-methoxyphenyl)dimethylsilanol
• Synonyms: (p-Methoxyphenyl)dimethylsilanol; (4-Methoxyphenyl)dimethylsilanol; (对甲氧苯基)二甲基硅烷醇; (4-甲氧苯基)二甲基硅烷醇

Database IDs

• CAS Number: 22868-26-4
• MDL Number: MFCD08276887
• PubChem SID: 24884950; 162235587
• PubChem CID: 10856140

CALCULATED PROPERTIES

• Acid pKa: 12.441493
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.91049993
• LogD (pH = 7.4): 0.91049606
• Log P: 0.9105
• Molar Refractivity: 46.0623 cm^3
• Polarizability: 20.075567 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.101 g/mL at 25 °C
• Refractive Index: n20/D 1.522

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Linear Formula: ((CH3O)C6H4)Si(CH3)2OH

DETAILS

Sigma Aldrich - 667951

Application
A useful silicon nucleophile for Pd-catalyzed cross-coupling.1
Packaging
1, 5 g in glass bottle
Protocols & Applications
Cross-Coupling using Organosilanols as Powerful Nucleophiles