(2E)-3-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methoxyphenyl]-2-propenoic Acid - CAS 854737-54-5
Catalog: |
BB066791 |
Product Name: |
(2E)-3-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methoxyphenyl]-2-propenoic Acid |
CAS: |
854737-54-5 |
Synonyms: |
3-O-TBS-Ferulic acid; (E)-3-(4-((tert-Butyldimethylsilyl)oxy)-3-methoxyphenyl)acrylic Acid |
IUPAC Name: | (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]prop-2-enoic acid |
Description: | 3-O-TBS-Ferulic acid is a useful reagent for organic synthesis and other chemical processes. |
Molecular Weight: | 308.44 |
Molecular Formula: | C16H24O4Si |
Canonical SMILES: | CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)C=CC(=O)O)OC |
InChI: | InChI=1S/C16H24O4Si/c1-16(2,3)21(5,6)20-13-9-7-12(8-10-15(17)18)11-14(13)19-4/h7-11H,1-6H3,(H,17,18)/b10-8+ |
InChI Key: | XXEMXNGBPJDMTN-CSKARUKUSA-N |
References: | Albertson, A. K. F., et al. Angew. Chem. Int. Ed., 54, 2204 (2015); Brandt, D. R., et al. Tetrahedron, 69, 9994 (2013); Silhar, P., et al. Bioorg. Med. Chem. Lett., 21, 2229 (2011). |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 308.14438578 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.14438578 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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