O-tert-Butyldimethylsilyl-benzyl Alcohol 4-(2,2,2-Trifluoroethanone) - CAS 87736-75-2
Catalog: |
BB071766 |
Product Name: |
O-tert-Butyldimethylsilyl-benzyl Alcohol 4-(2,2,2-Trifluoroethanone) |
CAS: |
87736-75-2 |
Synonyms: |
1-[4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]-2,2,2-trifluoro-ethanone |
IUPAC Name: | 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,2-trifluoroethanone |
Description: | Intermediate in the preparation of trifluoromethyldiazirine, useful as a photo-induced cross-linking probe for exploring amyloid formation. |
Molecular Weight: | 318.41 |
Molecular Formula: | C15H21F3O2Si |
Canonical SMILES: | CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F |
InChI: | InChI=1S/C15H21F3O2Si/c1-14(2,3)21(4,5)20-10-11-6-8-12(9-7-11)13(19)15(16,17)18/h6-9H,10H2,1-5H3 |
InChI Key: | PNTKHPCHUVZRCB-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Diethyl Ether, Ethyl Acetate, Methanol |
Appearance: | Light Yellow Oil |
Storage: | Refrigerator |
References: | Smith, D. et al; Chem. Comm. 44, 5728 (2008). |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.12629093 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.12629093 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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