Lot numbers can be found on the outside label of a product:
tert-Butyl 4-ethynylbenzoate
-
CAS No. 111291-97-5
- Cat. No. CS-0028342
- Purity≥97%
- MDL No.MFCD09037869
*For research and further manufacturing use only, not for direct human use.
Structure of 111291-97-5
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. 111291-97-5
- Cat. No. CS-0028342
- Purity ≥97%
- MDL No. MFCD09037869
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₄O₂
- Molecular Weight 202.25
- Synonym(s) RT-BUTYL 4-ETHYNYLBENZOATE
- SMILES O=C(OC(C)(C)C)C1=CC=C(C#C)C=C1
Description
tert-Butyl 4-ethynylbenzoate features a terminal alkyne group flanked by an electron-rich aromatic ring and a sterically hindered tert-butyl ester, enabling efficient copper-catalyzed coupling reactions. This combination delivers high functional group tolerance and stability under standard conditions.
Application
tert-Butyl 4-ethynylbenzoate serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated aryl alkynes. Its robust ethynyl group exhibits high stability under standard reaction conditions and tolerates diverse functional groups, facilitating straightforward purification and integration into complex molecular architectures. This compound functions effectively in Sonogashira, Glaser, and click-type transformations, making it a reliable reagent for synthesizing π-conjugated systems and heterocyclic scaffolds relevant to materials science and medicinal chemistry.
Synthesis
-
Route1
-
In-stock
59247-47-1 -
1066-54-2 - ~%
-
In-stock
111291-97-5
References
-
US4818819 A1, ;
-
-
Route2
-
In-stock
865-47-4 -
62480-31-3
- ~67%
-
In-stock
111291-97-5
References
-
Molt; Ruebeling; Schrader Journal of the American Chemical Society, 2003 , vol. 125, # 40 p. 12086 - 12087
-
-
Route3
-
111291-96-4 - ~%
-
In-stock
111291-97-5
References
-
Journal of Organic Chemistry, , vol. 54, # 15 p. 3618 - 3624
-
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 2.6232
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- tert-Butyl 4-ethynylbenzoate sigmatert-Butyl 4-ethynylbenzoate manufacturertert-Butyl 4-ethynylbenzoate pricetert-Butyl 4-ethynylbenzoate structuretert-Butyl 4-ethynylbenzoate SDSbuy tert-Butyl 4-ethynylbenzoatetert-Butyl 4-ethynylbenzoate suppliertert-Butyl 4-ethynylbenzoate usestert-Butyl 4-ethynylbenzoate molecular weightprice of tert-Butyl 4-ethynylbenzoatetert-Butyl 4-ethynylbenzoate chemical name formula of tert-Butyl 4-ethynylbenzoate