(3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile - CAS 727382-14-1
Catalog: |
BB069512 |
Product Name: |
(3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile |
CAS: |
727382-14-1 |
Synonyms: |
(S)-4-Chloro-3-(trimethylsilanyloxy)butyronitrile |
IUPAC Name: | (3S)-4-chloro-3-trimethylsilyloxybutanenitrile |
Description: | (3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile is used in the synthesis of statins or HMG-CoA reductase inhibitors. |
Molecular Weight: | 191.73 |
Molecular Formula: | C7H14ClNOSi |
Canonical SMILES: | C[Si](C)(C)OC(CC#N)CCl |
InChI: | InChI=1S/C7H14ClNOSi/c1-11(2,3)10-7(6-8)4-5-9/h7H,4,6H2,1-3H3/t7-/m0/s1 |
InChI Key: | FLYSOKSACGLOAO-ZETCQYMHSA-N |
References: | Shin, H. et al. Synth., 16, 2629 (2004); Choi, H. et al. Synlett., 10, 1523 (2008). |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0533183 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0533183 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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