Methyl (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate - CAS 52373-72-5
Catalog: |
BB027802 |
Product Name: |
Methyl (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate |
CAS: |
52373-72-5 |
Synonyms: |
(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester; methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate |
IUPAC Name: | methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate |
Description: | Methyl (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate (CAS# 52373-72-5) is a dioxolane derivative used in the preparation of matrix metalloproteinases (MMP) inhibitors. |
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-/m1/s1 |
InChI Key: | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
Boiling Point: | 70-75 °C / 10 mmHg (lit.) |
Density: | 1.106 g/mL at 25°C(lit.) |
MDL: | MFCD00066527 |
LogP: | 0.31090 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
CN-111263586-A | Hepatitis B antiviral agent | 20170828 |
TW-201920095-A | Hepatitis B antiviral reagent | 20170828 |
US-2019060258-A1 | Hepatitis b antiviral agents | 20170828 |
BR-112020004112-A2 | hepatitis b antiviral agents | 20170828 |
PMID | Publication Date | Title | Journal |
15497998 | 20041029 | An efficient preparation of isosteric phosphonate analogues of sphingolipids by opening of oxirane and cyclic sulfamidate intermediates with alpha-lithiated alkylphosphonic esters | 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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