Cas no 214487-27-1 (4-(4-methylpiperazin-1-yl)but-2-ynoic acid)
4-(4-Methylpiperazin-1-yl)but-2-ynoic acid is a versatile synthetic intermediate characterized by its piperazine and alkyne functional groups. The compound’s structure enables its use in pharmaceutical and organic synthesis, particularly in the development of bioactive molecules and heterocyclic compounds. Its alkyne moiety facilitates click chemistry applications, while the methylpiperazine group enhances solubility and reactivity in polar solvents. This compound is valued for its stability under standard conditions and compatibility with a range of coupling reactions. It serves as a key building block in medicinal chemistry for constructing pharmacophores, offering precise functionalization opportunities for targeted molecular design.
214487-27-1 structure
Product Name:4-(4-methylpiperazin-1-yl)but-2-ynoic acid
CAS No:214487-27-1
MF:C9H14N2O2
MW:182.219662189484
MDL:MFCD18813540
CID:242889
PubChem ID:18548981
Update Time:2025-05-27
4-(4-methylpiperazin-1-yl)but-2-ynoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Butynoic acid,4-(4-methyl-1-piperazinyl)-
- 4-(4-Methylpiperazin-1-yl)but-2-ynoicacid
- 4-(4-methyl-1-piperazinyl)-2-Butynoic acid
- 4-(4-METHYLPIPERAZIN-1-YL)BUT-3-YNOIC ACID
- 4-(4-methylpiperazin-1-yl)but-2-ynoic acid
- 2-Butynoicacid,4-(4-methyl-1-piperazinyl)-(9CI)
- FT-0734386
- DTXSID40695737
- 214487-27-1
-
- MDL： MFCD18813540
- Inchi： 1S/C9H14N2O2/c1-10-5-7-11(8-6-10)4-2-3-9(12)13/h3,5-8H2,1H3,(H,12,13)
- InChI Key： KYLJWKUFFSCDND-UHFFFAOYSA-N
- SMILES： OC(CC#CN1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.78
4-(4-methylpiperazin-1-yl)but-2-ynoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-305715-1g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 1g |
$1057.0 | 2023-09-05 | ||
| Enamine | EN300-305715-5g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 5g |
$3065.0 | 2023-09-05 | ||
| Enamine | EN300-305715-10g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 10g |
$4545.0 | 2023-09-05 | ||
| Enamine | EN300-305715-0.05g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 0.05g |
$888.0 | 2023-09-05 | ||
| Enamine | EN300-305715-0.1g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 0.1g |
$930.0 | 2023-09-05 | ||
| Enamine | EN300-305715-0.25g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 0.25g |
$972.0 | 2023-09-05 | ||
| Enamine | EN300-305715-0.5g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 0.5g |
$1014.0 | 2023-09-05 | ||
| Enamine | EN300-305715-1.0g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 1g |
$0.0 | 2023-06-07 | ||
| Enamine | EN300-305715-2.5g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 2.5g |
$2071.0 | 2023-09-05 | ||
| Enamine | EN300-305715-5.0g |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid |
214487-27-1 | 5.0g |
$3065.0 | 2023-02-26 |
4-(4-methylpiperazin-1-yl)but-2-ynoic acid Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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