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3,5-Diethoxycarbonyl-1,4-dihydro-2,4,6-collidine - >98.0%(GC), high purity , CAS No.632-93-9

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 632-93-9
Molecular Weight: 267.33
Beilstein Registry Number: 22147
MDL number: MFCD00005950
PubChem CID: 12446
PubChem SID: 504752342

In stock

Item Number

D154604

Grouped product items
SKU	Size	Availability	Price
D154604-1g	1g	3	$12.90
D154604-5g	5g	3	$24.90
D154604-25g	25g	3	$72.90
D154604-100g	100g	2	$259.90

View related series

Pyridines (1259)

Basic Description

Synonyms	DDC \| 3, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester \| Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate, 99% \| NSC49528 \| NSC-49528 \| NSC8910 \| NSC-8910 \| AKOS005208036 \| Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate \| Q271570
Specifications & Purity	≥98%(GC)
Biochemical and Physiological Mechanisms	Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate blocks the heme synthesis and prevents the induction of hepatic heme oxygenase-1 in mice.
Storage Temp	Room temperature
Shipped In	Normal
Product Description	It was used to induce Mallory-Denk body formation in mice in vivo.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines
      - Level5 Dihydropyridines
        Level6 Dihydropyridinecarboxylic acids and derivatives

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	ethyl ester - dihydropyridine
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504752342
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752342
IUPAC Name	diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
INCHI	InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
InChIKey	CDVAIHNNWWJFJW-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C
Isomeric SMILES	CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C
WGK Germany	3
RTECS	US7979375
Molecular Weight	267.33
Beilstein	22147
Reaxy-Rn	227619
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=227619&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C2504421	Certificate of Analysis	Jul 03, 2024	D154604
C2504422	Certificate of Analysis	Jul 03, 2024	D154604
H1909224	Certificate of Analysis	Jun 05, 2023	D154604
F2327174	Certificate of Analysis	Dec 15, 2021	D154604
F2327176	Certificate of Analysis	Dec 15, 2021	D154604
F2327170	Certificate of Analysis	Dec 15, 2021	D154604
B2224183	Certificate of Analysis	Dec 15, 2021	D154604
B2224182	Certificate of Analysis	Dec 15, 2021	D154604
B2224355	Certificate of Analysis	Dec 15, 2021	D154604
D2412049	Certificate of Analysis	Dec 15, 2021	D154604

Chemical and Physical Properties

Melt Point(°C)	130-132 °C (lit.)
Molecular Weight	267.320 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	267.147 Da
Monoisotopic Mass	267.147 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	408.000
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

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