3-Triisopropylsilyloxy-benzaldehyde - CAS 817166-73-7
Catalog: |
BB057054 |
Product Name: |
3-Triisopropylsilyloxy-benzaldehyde |
CAS: |
817166-73-7 |
Synonyms: |
3-[[Tris(1-methylethyl)silyl]oxy]benzaldehyde |
IUPAC Name: | 3-tri(propan-2-yl)silyloxybenzaldehyde |
Description: | 3-Triisopropylsilyloxy-benzaldehyde is a reactant in the synthesis of immunosuppressant sanglifehrins, specifically in the tripeptide domain. Also used in anti-microtubule synthesis which are developed as vascular-disrupting agents. |
Molecular Weight: | 278.46 |
Molecular Formula: | C16H26O2Si |
Canonical SMILES: | CC(C)[Si](C(C)C)(C(C)C)OC1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C16H26O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(10-16)11-17/h7-14H,1-6H3 |
InChI Key: | NJZLKOAGFVCIFK-UHFFFAOYSA-N |
References: | White, J. et al. J. Org. Chem., 78, 2757 (2013). |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.170206602 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.170206602 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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