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Diethyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate - 10mM in DMSO, high purity , CAS No.1149-23-1
Basic Description
Synonyms
1149-23-1 | Diludine | Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate | Ethidine | Etidin | Hantzsch ester | diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | Diethone | Hantzsch's dihydropyridine | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dime
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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
InChIKey
LJXTYJXBORAIHX-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C
Isomeric SMILES
CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C
WGK Germany
2
RTECS
US7970100
Molecular Weight
253.3
Beilstein
22(5)4,81
Reaxy-Rn
210605
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210605&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
183 °C
Molecular Weight
253.290 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
253.131 Da
Monoisotopic Mass
253.131 Da
Topological Polar Surface Area
64.599 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
383.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Chunping Ma, Jiyin He, Yancheng Wu, Junlang Li, Jiayi Chen, Yangfan Zhang, Jinpeng Mo, Haibo Xie, Zhenguo Chi, Yang Li, Yongcan Jin.
(2023)
Multistimuli-responsive fluorescence behaviours of aggregation-induced emission small-molecule and electrospun nanofibre films for acid–base vapour sensing. LUMINESCENCE,
38
(10):
(1720-1728).
2.
Liang Wenfei, Nie Chengming, Du Jun, Han Yaoyao, Zhao Guohui, Yang Fan, Liang Guijie, Wu Kaifeng.
(2023)
Near-infrared photon upconversion and solar synthesis using lead-free nanocrystals. Nature Photonics,
17
(4):
(346-353).
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2 Citations