Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Name: Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
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CAS No. 41234-43-9
Cat. No. CS-0140222
Purity≥97%
MDL No.MFCD04035517

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0140222

Structure of 41234-43-9

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General Information

CAS No. 41234-43-9
Cat. No. CS-0140222
Purity ≥97%
MDL No. MFCD04035517
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅NO₂
Molecular Weight 205.25
Synonym(s) R-ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILES O=C(C1NCC2=C(C=CC=C2)C1)OCC

Description

Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate features a rigid, electron-rich tetrahydroisoquinoline core paired with a reactive ester handle. This scaffold integrates readily into synthetic routes for bioactive alkaloids and pharmaceutical intermediates, offering predictable cyclization behavior under mild conditions.

Application

Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of isoquinoline-based scaffolds. Its carboxylate functionality facilitates direct derivatization via ester hydrolysis or reduction, while the tetrahydroisoquinoline core exhibits excellent compatibility with diverse coupling reactions and functional group interconversions. Bench-stable and readily purified by standard chromatographic methods, it functions as a key intermediate in the synthesis of bioactive molecules and heterocyclic APIs.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 38.33
LogP 1.264
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

CAS No. 41234-43-9

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