(methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine

• ChemBase ID: 302587
• Molecular Formular: C14H25NOSi
• Molecular Mass: 251.4399
• Monoisotopic Mass: 251.17054096
• SMILES: C[C@@H](c1ccccc1)N(COC)C[Si](C)(C)C
• Canonical SMILES: COCN([C@H](c1ccccc1)C)C[Si](C)(C)C
• InChI: InChI=1S/C14H25NOSi/c1-13(14-9-7-6-8-10-14)15(11-16-2)12-17(3,4)5/h6-10,13H,11-12H2,1-5H3/t13-/m0/s1
• InChIKey: FRQGYHCIEIDEAD-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
• IUPAC Traditional name: (methoxymethyl)[(1S)-1-phenylethyl][(trimethylsilyl)methyl]amine
• Synonyms: (R)-(+)-N-Methoxymethyl-N-(trimethylsilyl)methyl-1-phenylethylamine; (R)-(+)-N-甲氧基甲基-N-(三甲基甲硅基)甲基-1-苯乙胺

Database IDs

• CAS Number: 133407-38-2
• MDL Number: MFCD06798959
• Beilstein Number: 4745464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8309741
• LogD (pH = 7.4): 3.640469
• Log P: 4.7249
• Molar Refractivity: 70.2438 cm^3
• Polarizability: 30.23138 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-84°C/0.2mm
• Density: 0.926
• Refractive Index: 1.4930
• Optical Rotation: +47 (c=1 in carbon tetrachloride)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: tech. 85%

REFERENCES

• The azomethine ylide, from the reaction with TFA in DCM, showed high facial selectivity in additions to chiral unsaturated bicyclic lactams: J. Org. Chem., 61, 3362(1996).