Lot numbers can be found on the outside label of a product:
Ethyl 4,4-difluorocyclohexanecarboxylate
-
CAS No. 178312-47-5
- Cat. No. CS-W003100
- Purity≥98%
- MDL No.MFCD03788494
*For research and further manufacturing use only, not for direct human use.
Structure of 178312-47-5
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. 178312-47-5
- Cat. No. CS-W003100
- Purity ≥98%
- MDL No. MFCD03788494
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₄F₂O₂
- Molecular Weight 192.20
- Synonym(s) Ethyl-4,4-difluorocyclohexane carboxylate
- SMILES CCOC(=O)C1CCC(CC1)(F)F
Description
Ethyl 4,4-difluorocyclohexanecarboxylate features a rigid cyclohexane core with two fluorine atoms at the C4 position, enhancing electron withdrawal and conformational stability. This difluorinated ester integrates readily into asymmetric synthesis workflows, serving as a key chiral building block for medicinal chemistry applications.
Application
Ethyl 4,4-difluorocyclohexanecarboxylate serves as a versatile building block in medicinal chemistry and asymmetric synthesis. The geminal difluoride moiety imparts enhanced metabolic stability and modulates lipophilicity, while the ester group enables subsequent transformations including hydrolysis, reduction, or coupling reactions. Its cyclohexane scaffold provides conformational rigidity, facilitating stereocontrolled synthesis. Bench-stable and readily purified by standard chromatography, it functions effectively in multistep sequences for drug discovery and API intermediate development.
Synthesis
-
Route1
-
In-stock
17159-79-4 - ~71%
-
In-stock
178312-47-5
References
-
TOLERO PHARMACEUTICALS, INC.; XU, Yong; BRENNING, Benjamin, Gary; KULTGEN, Steven, G.; LIU, Xiaohui; SAUNDERS, Michael; HO, Koc-Kan Patent: WO2013/13188 A1, 2013 ; Location in patent: Paragraph 00312 ; WO 2013/013188 A1
-
-
Route2
-
444578-35-2 -
253276-02-7 - ~%
-
In-stock
178312-47-5
References
-
EP1364938 A1, ; Page/Page column 8 ;
-
-
Route3
-
90942-89-5
- ~40%
-
In-stock
178312-47-5
References
-
HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH Patent: WO2005/14519 A1, 2005 ; Location in patent: Page/Page column 7 ;
-
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 26.3
- LogP 2.375
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- Ethyl 4,4-difluorocyclohexanecarboxylate sigmaEthyl 4,4-difluorocyclohexanecarboxylate manufacturerEthyl 4,4-difluorocyclohexanecarboxylate priceEthyl 4,4-difluorocyclohexanecarboxylate structureEthyl 4,4-difluorocyclohexanecarboxylate SDSbuy Ethyl 4,4-difluorocyclohexanecarboxylateEthyl 4,4-difluorocyclohexanecarboxylate supplierEthyl 4,4-difluorocyclohexanecarboxylate usesEthyl 4,4-difluorocyclohexanecarboxylate molecular weightprice of Ethyl 4,4-difluorocyclohexanecarboxylateEthyl 4,4-difluorocyclohexanecarboxylate chemical name formula of Ethyl 4,4-difluorocyclohexanecarboxylate