Lot numbers can be found on the outside label of a product:
4,4-Dimethylpent-2-ynoic acid
-
CAS No. 52418-50-5
- Cat. No. CS-0371341
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 52418-50-5
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. 52418-50-5
- Cat. No. CS-0371341
- Purity ≥95%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₀O₂
- Molecular Weight 126.15
- Synonym(s) 4,4-diMethyl-2-pentynoic acid
- SMILES CC(C)(C)C#CC(O)=O
Description
4,4-Dimethylpent-2-ynoic acid features a terminal alkyne group flanked by a sterically hindered dimethyl-substituted carbon chain, enhancing stability and reducing unwanted side reactions. This structural rigidity facilitates selective coupling in synthetic transformations, particularly in Sonogashira cross-coupling protocols. The carboxylic acid moiety enables direct derivatization or activation for peptide and polymer conjugation.
Application
4,4-Dimethylpent-2-ynoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to α,β-unsaturated carboxylic acids and alkynylated heterocycles. Its terminal alkyne functionality facilitates palladium-catalyzed coupling reactions, while the sterically hindered gem-dimethyl group enhances stability and simplifies purification. The molecule functions reliably in standard transformations including esterification, amidation, and metalation, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.
Synthesis
-
Route1
-
917-92-0 -
124-38-9
- ~94%
-
In-stock
52418-50-5
References
-
Yu, Dingyi; Tan, Mei Xuan; Zhang, Yugen Advanced Synthesis and Catalysis, 2012 , vol. 354, # 6 p. 969 - 974
-
-
Route2
-
124-38-9
-
14630-42-3
- ~78%
-
In-stock
52418-50-5
References
-
Yonemoto-Kobayashi, Misato; Inamoto, Kiyofumi; Tanaka, Yoshiyuki; Kondo, Yoshinori Organic and Biomolecular Chemistry, 2013 , vol. 11, # 23 p. 3773 - 3775
-
-
Route3
-
83747-01-7
- ~%
-
17530-24-4
-
In-stock
52418-50-5
-
84253-52-1
-
83747-02-8
References
-
Eisenbarth, Philipp; Regitz, Manfred Chemische Berichte, 1982 , vol. 115, # 12 p. 3796 - 3810
-
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-P330-P362-P405-P501
|
|
Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 1.1205
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- 4,4-Dimethylpent-2-ynoic acid sigma4,4-Dimethylpent-2-ynoic acid manufacturer4,4-Dimethylpent-2-ynoic acid price4,4-Dimethylpent-2-ynoic acid structure4,4-Dimethylpent-2-ynoic acid SDSbuy 4,4-Dimethylpent-2-ynoic acid4,4-Dimethylpent-2-ynoic acid supplier4,4-Dimethylpent-2-ynoic acid uses4,4-Dimethylpent-2-ynoic acid molecular weightprice of 4,4-Dimethylpent-2-ynoic acid4,4-Dimethylpent-2-ynoic acid chemical name formula of 4,4-Dimethylpent-2-ynoic acid