Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate - CAS 37031-29-1
Catalog: |
BB023174 |
Product Name: |
Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate |
CAS: |
37031-29-1 |
Synonyms: |
(4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester; dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate |
IUPAC Name: | dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate |
Description: | Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate (CAS# 37031-29-1) is used as a reagent to synthesize (+)-Migrastatin, a natural macrolide compound produced by Streptomyces 1 & 2 that acts as a tumour migration cell inhibitor. Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate (CAS# 37031-29-1) is also a derivative of Tartaric acid, a compound that is used as a chiral complexing agent in synthetic chemistry. |
Molecular Weight: | 218.20 |
Molecular Formula: | C9H14O6 |
Canonical SMILES: | CC1(OC(C(O1)C(=O)OC)C(=O)OC)C |
InChI: | InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1 |
InChI Key: | ROZOUYVVWUTPNG-PHDIDXHHSA-N |
Boiling Point: | 270.2 °C at 760 mmHg 150 °C19 mmHg (lit.) |
Density: | 1.19 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00066218 |
LogP: | -0.14750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10618917-B2 | Photochemical methods of making cyclobutane boronates and related compounds | 20170803 |
US-2019040085-A1 | Photochemical methods of making cyclobutane boronates and related compounds | 20170803 |
US-2020223870-A1 | Photochemical methods of making cyclobutane boronates and related compounds | 20170803 |
CA-2972375-A1 | Malodor reduction compositions | 20170706 |
EP-3424539-A1 | Malodor reduction compositions | 20170706 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.07903816 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.07903816 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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