1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid

Name: 1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 41034-52-0
Cat. No. CS-0005330
Molecule weight177.20
Purity≥97%
MDL No.MFCD01318704

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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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1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid|CS-0005330

Structure of 41034-52-0

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General Information

CAS No. 41034-52-0
Cat. No. CS-0005330
Purity ≥97%
MDL No. MFCD01318704
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁NO₂
Molecular Weight 177.20
Synonym(s) None
SMILES O=C(O)C1C(C=CC=C2)=C2CCN1

Description

This tetrahydroisoquinoline-1-carboxylic acid delivers a rigid, bioactive scaffold with enhanced solubility and metabolic stability. The carboxylic acid group enables direct conjugation or salt formation, while the fused ring system provides defined stereochemistry. It serves as a key building block in medicinal chemistry for CNS-targeted compounds and peptidomimetics.

Application

1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide mimetics. Its carboxylic acid functionality facilitates direct coupling reactions, while the tetrahydroisoquinoline core offers structural rigidity and favorable pharmacophoric properties. Bench-stable and compatible with standard purification methods, it functions effectively in both solution-phase and solid-phase synthesis workflows.

Synthesis

Route1
- In-stock
  
  486-73-7
- ~99%
- In-stock
  
  41034-52-0
References
- Paal, Tihamer A.; Forro, Eniko; Liljeblad, Arto; Kanerva, Liisa T.; Fueloep, Ferenc Tetrahedron Asymmetry, 2007 , vol. 18, # 12 p. 1428 - 1433
Route2
- 844-25-7
- ~%
- In-stock
  
  41034-52-0
References
- Solomon Journal of the Chemical Society, 1947 , p. 129

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-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 49.33
LogP 0.958
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid

CAS No. 41034-52-0

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