LXRβ ligand 1

Name: LXRβ ligand 1
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CAS No. 171049-41-5
Cat. No. CS-W019646
Purity≥95%
MDL No.MFCD04973401

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 171049-41-5

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Description

7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline features a protected amine at the 2-position and a free primary amine at the 7-position, enabling selective functionalization. This scaffold integrates readily into complex alkaloid syntheses and serves as a key intermediate in medicinal chemistry campaigns targeting CNS-active compounds.

Application

7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline serves as a versatile building block for the synthesis of isoquinoline-based pharmaceuticals and natural product analogs. The tert-butoxycarbonyl group provides stable protection of the primary amine, enabling orthogonal functionalization and facilitating purification. The scaffold exhibits excellent compatibility with standard coupling reactions, hydrogenation protocols, and electrophilic substitutions, making it ideal for iterative synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 171049-41-5
Cat. No. CS-W019646
Purity ≥95%
MDL No. MFCD04973401
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₂₀N₂O₂
Molecular Weight 248.32
Synonym(s) None
SMILES O=C(N1CC2=CC(N)=CC=C2CC1)OC(C)(C)C

Computational Chemistry Data

TPSA 55.56
LogP 2.562
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

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LXRβ ligand 1

CAS No. 171049-41-5

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