Lot numbers can be found on the outside label of a product:
1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate
-
CAS No. 98977-37-8
- Cat. No. CS-0197545
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 98977-37-8
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. 98977-37-8
- Cat. No. CS-0197545
- Purity ≥95%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₂₃NO₅
- Molecular Weight 285.34
- Synonym(s) 1-Tert-butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate
- SMILES CCOC(=O)C1CN(CCCC1=O)C(=O)OC(C)(C)C
Description
This azepane derivative features a sterically shielded tert-butyl group and an ethyl ester, enabling robust stability and selective reactivity. The 4-oxo functionality enhances electrophilicity at C4, facilitating nucleophilic addition under mild conditions. Designed for modular synthesis in medicinal chemistry, the dicarboxylate scaffold supports efficient derivatization and incorporation into complex heterocyclic frameworks.
Application
1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate serves as a versatile bicyclic building block for the synthesis of nitrogen-containing heterocycles. Its 4-oxo functionality enables enolization and nucleophilic addition, while the ester groups support selective hydrolysis and coupling reactions. The tert-butyl and ethyl substituents provide steric protection and facilitate purification. This compound functions effectively in multistep syntheses requiring controlled reactivity and stability under standard organic transformation conditions.
Synthesis
-
Route1
-
623-73-4 -
79099-07-3
- ~98%
-
In-stock
98977-37-8
References
-
SEPRACOR INC.; BURDI, Douglas; SPEAR, Kerry, L.; HARDY, Larry, Wendell Patent: WO2010/114971 A1, 2010 ; Location in patent: Page/Page column 155-156 ;
-
-
Route2
-
623-73-4
-
In-stock
98977-36-7 - ~32%
-
In-stock
98977-37-8
-
98977-38-9
References
-
JANSSEN PHARMACEUTICA NV; CARRUTHERS, Nicholas, I.; MACDONALD, Gregor, J.; SHIREMAN, Brock, T.; TRAN, Vi, T. Patent: WO2010/53825 A1, 2010 ; Location in patent: Page/Page column 32-33 ; WO 2010/053825 A1
-
-
Route3
-
In-stock
24424-99-5 - ~%
-
In-stock
98977-37-8
References
-
Brehm, Lotte; Krogsgaard-Larsen, Povl; Schaumburg, Kjeld; Johansen, Joergen S.; Falch, Erik; Curtis, David R. Journal of Medicinal Chemistry, 1986 , vol. 29, # 2 p. 224 - 229
-
Safety Information
Download SDS|
GHS Pictogram :
|
GHS No : GHS07
|
|
Signal Word : Warning
|
UN#: N/A
|
|
Class : N/A
|
Packing Group : N/A
|
|
Hazard Statements : H315-H319-H335
|
|
|
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
|
|
Quality Control
Computational Chemistry Data
- TPSA 72.91
- LogP 1.7657
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 2
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- 98977-37-8 sigma98977-37-8 manufacturer98977-37-8 price98977-37-8 structure98977-37-8 SDSbuy 98977-37-898977-37-8 supplier98977-37-8 uses98977-37-8 molecular weightprice of 98977-37-898977-37-8 chemical name formula of 98977-37-8