Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate - CAS 1149-24-2
Catalog: |
BB003450 |
Product Name: |
Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate |
CAS: |
1149-24-2 |
Synonyms: |
diethyl 2,6-dimethylpyridine-3,5-dicarboxylate |
IUPAC Name: | diethyl 2,6-dimethylpyridine-3,5-dicarboxylate |
Description: | Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate (CAS# 1149-24-2) is a useful research chemical. |
Molecular Weight: | 251.28 |
Molecular Formula: | C13H17NO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(N=C1C)C)C(=O)OCC |
InChI: | InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3 |
InChI Key: | DIIWSYPKAJVXBV-UHFFFAOYSA-N |
Boiling Point: | 208 ℃ / 40 mmHg (lit.) |
Purity: | ≥ 98.5 % |
Density: | 1.121 g/cm3 |
Appearance: | Yellow powder, crystals, fibers or solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00023506 |
LogP: | 2.05180 |
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 |
KR-20210093079-A | Preparation method of 2-substituted 1,2,3,4-tetrahydroquinoline compound | 20200117 |
CN-111170905-A | Synthetic method of sulfonamide compound | 20191228 |
CN-108169346-A | The gas chromatography combined with mass spectrometry detection method of dihydropyridine in feed | 20171215 |
CN-108169346-B | Gas chromatography-mass spectrometry combined detection method for dihydropyridine in feed | 20171215 |
WO-2019081036-A1 | PHOTOCATALYTIC SYSTEM AND APPLICATIONS THEREOF | 20171027 |
PMID | Publication Date | Title | Journal |
21577973 | 20090926 | Diethyl 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate at 100\u2005K | Acta crystallographica. Section E, Structure reports online |
19136915 | 20090108 | The main chemical composition and in vitro antifungal activity of the essential oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth | Molecules (Basel, Switzerland) |
21581129 | 20081108 | Poly[bis-(μ-2,6-dimethyl-pyridinium-3,5-dicarboxyl-ato-κO:O)copper(II)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.11575802 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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