Lot numbers can be found on the outside label of a product:
Methyl 4-Pyrrolidin-1-1ylbenzoate
-
CAS No. 129414-26-2
- Cat. No. CS-0061847
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 129414-26-2
Please choose your location and provide accurate information for you
| Size |
|
Price | Quantity | |||
|---|---|---|---|---|---|---|
|
* Please select Quantity before adding items. |
||||||
Recommended Products
General Information
- CAS No. 129414-26-2
- Cat. No. CS-0061847
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₅NO₂
- Molecular Weight 205.25
- Synonym(s) METHYL-4-PYRROLIDIN-1-YLBENZOATE
- SMILES COC(=O)C1=CC=C(C=C1)N2CCCC2
Description
Methyl 4-pyrrolidin-1-ylbenzoate features a pyrrolidine ring attached to a benzoate ester, delivering enhanced solubility and stability in organic media. This electron-rich aromatic system facilitates efficient coupling reactions and serves as a key intermediate in pharmaceutical synthesis. The molecule’s polar amine functionality enables straightforward derivatization under mild conditions.
Application
Methyl 4-pyrrolidin-1-ylbenzoate serves as a versatile synthetic intermediate in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard amidation and coupling reactions. Its pyrrolidine moiety provides favorable solubility and metabolic stability, while the ester group facilitates selective derivatization. The compound exhibits excellent bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows in drug discovery programs.
Synthesis
-
Route1
-
15097-49-1 -
In-stock
403-33-8 - ~73%
-
In-stock
129414-26-2
References
-
Zylum Beteiligungsgesellschaft mbH and Co. Patente II KG Patent: US2012/142937 A1, 2012 ; Location in patent: Page/Page column 6 ;
-
-
Route2
-
110-63-4 -
In-stock
619-45-4 - ~33%
-
In-stock
129414-26-2
References
-
Hamid, M. Haniti S. A.; Allen, C. Liana; Lamb, Gareth W.; Maxwell, Aoife C.; Maytum, Hannah C.; et al. Journal of the American Chemical Society, 2009 , vol. 131, p. 1766 - 1774
-
-
Route3
-
15097-49-1
-
In-stock
403-33-8
- ~78%
-
420-56-4
-
In-stock
129414-26-2
References
-
Dehe, Daniel; Munstein, Isabel; Reis, Andreas; Thiel, Werner R. Journal of Organic Chemistry, 2011 , vol. 76, # 4 p. 1151 - 1154
-
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
Computational Chemistry Data
- TPSA 29.54
- LogP 2.0734
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- Methyl 4-Pyrrolidin-1-1ylbenzoate sigmaMethyl 4-Pyrrolidin-1-1ylbenzoate manufacturerMethyl 4-Pyrrolidin-1-1ylbenzoate priceMethyl 4-Pyrrolidin-1-1ylbenzoate structureMethyl 4-Pyrrolidin-1-1ylbenzoate SDSbuy Methyl 4-Pyrrolidin-1-1ylbenzoateMethyl 4-Pyrrolidin-1-1ylbenzoate supplierMethyl 4-Pyrrolidin-1-1ylbenzoate usesMethyl 4-Pyrrolidin-1-1ylbenzoate molecular weightprice of Methyl 4-Pyrrolidin-1-1ylbenzoateMethyl 4-Pyrrolidin-1-1ylbenzoate chemical name formula of Methyl 4-Pyrrolidin-1-1ylbenzoate