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Hantzsch ester

CAS 1149-23-1 ≥97%

Hantzsch ester | CAS 1149-23-1 | ≥97%

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Technical Specifications

CAS Number 1149-23-1
EC / EINECS Number 214-561-6
MDL Number MFCD00005951
RTECS Number US7970100
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
InChIKey LJXTYJXBORAIHX-UHFFFAOYSA-N
PubChem CID 70849
Molecular Formula C₁₃H₁₉NO₄
Molecular Weight 253.29 g/mol
Melting Point 175–180 °C
Solubility Soluble in most common organic solvents, including ethanol, dichloromethane, and chloroform. Practically insoluble in water.
Purity ≥97%
Physical Form Light yellow to yellow crystalline powder
HS Code 2933.39
Shelf Life Retest period: 36 months from date of manufacture.
Storage Conditions Store in a cool, dry place in a tightly sealed container, protected from light.

Product Description & Scientific Applications

Hantzsch ester (diethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate; HEH) is a 1,4-dihydropyridine dicarboxylate and a synthetic analogue of the reduced nicotinamide cofactor NADH. Like the cofactor, it is a mild organic hydride donor: under mild conditions it transfers hydrogen to reduce C=C, C=N and activated C=O bonds.

Reduction of imines and reductive amination. With a chiral phosphoric acid catalyst, Hantzsch ester reduces preformed ketimines to enantioenriched amines; the same catalysis reduces the imine formed in situ from a ketone and an arylamine, so the chiral amine is obtained directly by reductive amination, cleanly across a range of ketone structures.

Synthesis of α-amino esters. With a chiral phosphoric acid, it reduces α-imino esters derived from aryl and alkyl keto esters to the corresponding enantioenriched α-amino esters.

Conjugate reduction of enals. Paired with a chiral imidazolidinone catalyst that activates the substrate through iminium-ion formation, it transfers hydrogen to β,β-disubstituted α,β-unsaturated aldehydes to give β-stereogenic saturated aldehydes. The catalyst isomerises the double bond ahead of reduction, so mixtures of E- and Z-enal converge on the same enantiomer, and the delivery tolerates groups that are themselves prone to reduction such as aldehydes and halides.

Reduction of α-ketoesters. With chiral copper(II)–bisoxazoline complexes acting as alcohol-dehydrogenase mimics, it reduces α-ketoesters to the corresponding α-hydroxy esters.

Dearomatising reduction of quinolines. Under chiral Brønsted-acid catalysis, Hantzsch ester drives a cascade transfer hydrogenation of quinolines, adding hydrogen across the heterocyclic ring to give 2-aryl- and 2-alkyl-substituted 1,2,3,4-tetrahydroquinolines, a route applied in alkaloid synthesis.

Photoredox electron donor. Under violet light (390 nm), Hantzsch ester acts as an organic electron donor and photoreductant: it forms electron donor–acceptor complexes with suitable acceptors and undergoes single-electron transfer, generating carbon radicals from carboxylic-acid-derived precursors and reducing the metal catalyst — nickel(II) to catalytically active nickel(0) — so that decarboxylative cross-couplings run without a separate photocatalyst.

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Safety Information

Hazard Class Not regulated for transport
Transport Category Not classified as dangerous goods for transport (ADR/IATA/IMDG)
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