Pyrrolidine, 1-benzyl-

Name: Pyrrolidine, 1-benzyl-
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 29897-82-3
Cat. No. CS-0031418
Purity≥97%
MDL No.MFCD00127807

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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 29897-82-3

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General Information

CAS No. 29897-82-3
Cat. No. CS-0031418
Purity ≥97%
MDL No. MFCD00127807
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₅N
Molecular Weight 161.24
Synonym(s) Pyrrolidine, 1-benzyl-
SMILES N1(CCCC1)CC2=CC=CC=C2

Description

1-Benzylpyrrolidine is a bench-stable, nitrogen-containing heterocycle featuring a benzyl group attached to the pyrrolidine ring. This configuration enhances solubility and provides a rigidified scaffold for medicinal chemistry applications. The compound serves as a key building block in the synthesis of bioactive molecules, particularly in CNS-targeted drug discovery.

Application

1-Benzylpyrrolidine serves as a versatile nitrogen-containing building block in medicinal chemistry, enabling efficient access to pyrrolidine-based pharmacophores. Its benzyl group enhances metabolic stability and modulates lipophilicity, while the secondary amine facilitates straightforward functionalization. The compound exhibits excellent bench stability, broad compatibility with standard coupling and reductive amination protocols, and enables rapid diversification in scaffold-hopping campaigns.

Synthesis

Route1
- 123-75-1
- 100-39-0
- ~99%
- In-stock
  
  29897-82-3
References
- Jaisinghani, Harsha G.; Khadilkar, Bhushan M. Synthetic Communications, 1999 , vol. 29, # 21 p. 3693 - 3698
Route2
- In-stock
  
  5291-77-0
- ~95%
- In-stock
  
  29897-82-3
References
- Collins, Christopher J.; Lanz, Marc; Singaram, Bakthan Tetrahedron Letters, 1999 , vol. 40, # 19 p. 3673 - 3676
Route3
- 123-75-1
- 100-52-7
- ~99%
- In-stock
  
  29897-82-3
References
- Alinezhad, Heshmatollah; Tollabian, Zakieh Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 7 p. 1927 - 1930

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

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Computational Chemistry Data

TPSA 3.24
LogP 2.2824
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Pyrrolidine, 1-benzyl-

CAS No. 29897-82-3

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