Methyl (±)-10-Camphorsulfonate - CAS 46471-67-4
Catalog: |
BB058864 |
Product Name: |
Methyl (±)-10-Camphorsulfonate |
CAS: |
46471-67-4 |
Synonyms: |
Methyl {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonate |
IUPAC Name: | methyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate |
Description: | Methyl (±)-10-Camphorsulfonate is used in the synthesis studies of camphor sulfonate as a chiral auxiliary. |
Molecular Weight: | 246.32 |
Molecular Formula: | C11H18O4S |
Canonical SMILES: | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC)C |
InChI: | InChI=1S/C11H18O4S/c1-10(2)8-4-5-11(10,9(12)6-8)7-16(13,14)15-3/h8H,4-7H2,1-3H3 |
InChI Key: | PIZJIRRXGXBJAU-UHFFFAOYSA-N |
References: | Liu, X., et al. Huaxue Shijie, 53, 300 (2012); Vignola, N., et al. Tetrahedron Lett., 42, 7833 (2001). |
Complexity: | 418 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.09258022 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.09258022 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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