Methyl (S)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetate - CAS 95422-24-5
Catalog: |
BB041710 |
Product Name: |
Methyl (S)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetate |
CAS: |
95422-24-5 |
Synonyms: |
2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid methyl ester; methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate |
IUPAC Name: | methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate |
Description: | Methyl (S)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetate (CAS# 95422-24-5 ) is a useful research chemical. |
Molecular Weight: | 174.19 |
Molecular Formula: | C8H14O4 |
Canonical SMILES: | CC1(OCC(O1)CC(=O)OC)C |
InChI: | InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3 |
InChI Key: | AEMMCWMMNLSHFT-UHFFFAOYSA-N |
Boiling Point: | 200 °C at 760 mmHg |
Density: | 1.044 g/cm3 |
MDL: | MFCD00274220 |
LogP: | 0.70100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2012145808-A1 | Method for preparing atorvastatin calcium using new intermediates and resulting atorvastatin | 20110425 |
CA-2608232-A1 | Process for the production of statins | 20050513 |
EP-1888600-A2 | Method for the production of statins | 20050513 |
US-2008249306-A1 | Method for the Production of Statins | 20050513 |
US-8148550-B2 | Method for the production of statins | 20050513 |
PMID | Publication Date | Title | Journal |
11375005 | 20010601 | Simultaneous discrimination of diastereotopic groups and faces: the first example in intramolecular [3+2] and [2+2+1] cycloaddition reactions | The Journal of organic chemistry |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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