Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate - CAS 1149-23-1

Name: Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003449
Product Name:	Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CAS:	1149-23-1
Synonyms:	diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Technical Data

IUPAC Name:	diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Description:	Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate (CAS# 1149-23-1) is a dihydropyridine derivative that have been tested for antimicrobial activities.
Molecular Weight:	253.29
Molecular Formula:	C13H19NO4
Canonical SMILES:	CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C
InChI:	InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3
InChI Key:	LJXTYJXBORAIHX-UHFFFAOYSA-N
Boiling Point:	351.8 °C at 760 mmHg
Purity:	98 %
Density:	1.104 g/cm³
Appearance:	Yellow solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	1.98270

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

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PMID	Publication Date	Title	Journal
22901391	20120915	Design, solvent free synthesis, and antimicrobial evaluation of 1,4 dihydropyridines	Bioorganic & medicinal chemistry letters
21541418	20110621	Direct reductive amination of aromatic aldehydes catalyzed by gold(I) complex under transfer hydrogenation conditions	Chemical communications (Cambridge, England)
20735125	20100922	Controlled and chemoselective reduction of secondary amides	Journal of the American Chemical Society
19954143	20100101	A general approach to chiral building blocks via direct amino acid-catalyzed cascade three-component reductive alkylations: formal total synthesis of HIV-1 protease inhibitors, antibiotic agglomerins, brefeldin A, and (R)-gamma-hexanolide	The Journal of organic chemistry
18972048	20081121	Direct amino acid-catalyzed cascade biomimetic reductive alkylations: application to the asymmetric synthesis of Hajos-Parrish ketone analogues	Organic & biomolecular chemistry

Complexity:	383
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.13140809
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.13140809
Rotatable Bond Count:	6
Topological Polar Surface Area:	64.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8