Methyl (S)-(-)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate - CAS 60456-21-5
Catalog: |
BB030691 |
Product Name: |
Methyl (S)-(-)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate |
CAS: |
60456-21-5 |
Synonyms: |
(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester; methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate |
IUPAC Name: | methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate |
Description: | Methyl (S)-(-)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate (CAS# 60456-21-5) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CC1(OCC(O1)C(=O)OC)C |
InChI: | InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1 |
InChI Key: | DOWWCCDWPKGNGX-YFKPBYRVSA-N |
Boiling Point: | 84-86 °C / 15 mmHg (lit.) |
Density: | 1.106 g/mL at 25°C(lit.) |
Appearance: | Light yellow liquid |
MDL: | MFCD00066526 |
LogP: | 0.31090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020125627-A1 | Phenylpyrrolidine compound and use thereof | 20181218 |
CN-111333626-A | Phenyl pyrrolidine compounds and uses thereof | 20181218 |
EP-3901146-A1 | Phenylpyrrolidine compound and use thereof | 20181218 |
KR-20210093320-A | Phenylpyrrolidine-based compounds and uses thereof | 20181218 |
CN-113365662-A | Method of treatment | 20181102 |
PMID | Publication Date | Title | Journal |
15790567 | 20050520 | Chemical synthesis of (S)-4,5-dihydroxy-2,3-pentanedione, a bacterial signal molecule precursor, and validation of its activity in Salmonella typhimurium | The Journal of biological chemistry |
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: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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