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| | 3-Oxocyclobutanecarboxylic acid Basic information |
| | 3-Oxocyclobutanecarboxylic acid Chemical Properties |
| Melting point | 69-70℃ | | Boiling point | 296°C | | density | 1.431 | | Fp | 147°C | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | Solid | | pka | 4.35±0.20(Predicted) | | color | Off-white | | Water Solubility | Slightly soluble in water. | | InChI | InChI=1S/C5H6O3/c6-4-1-3(2-4)5(7)8/h3H,1-2H2,(H,7,8) | | InChIKey | IENOFRJPUPTEMI-UHFFFAOYSA-N | | SMILES | C1(C(O)=O)CC(=O)C1 | | CAS DataBase Reference | 23761-23-1(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 26-37-60 | | TSCA | No | | HS Code | 29189900 |
| | 3-Oxocyclobutanecarboxylic acid Usage And Synthesis |
| Description | 3-Oxocyclobutanecarboxylic acid is an organic common intermediate compound used in pharmaceuticals, organic synthesis and organic light-emitting diode (OLED) intermediates. Abrocitinib, prepared from 3-Oxocyclobutanecarboxylic acid, is approved for the treatment of adult patients with atopic dermatitis (AD), as well as patients with refractory moderate to severe AD who have had limited or minimal response to other systemic medications. | | Chemical Properties | White solid | | Uses | 3-Oxocyclobutanecarboxylic Acid (cas# 23761-23-1) is a compound useful in organic synthesis. | | Application | 3-Oxocyclobutanecarboxylic acid is a very important medicine intermediate, it is widely applied in the synthetic of tens kinds of bulk drugs, such as ACK1 antibody, the MDM2 antagonist, the JAK inhibitor, CETP inhibitor, kinase inhibitor, the PDE10 inhibitor, thrombin inhibitors and in autoimmunization chronic inflammatory diseases and antitumor drug, all being used to. | | Preparation | The target product 3-oxocyclobutanecarboxylic acid is obtained by adopting acetone, bromine, and malononitrile as raw materials, adopting ethanol, DMF (dimethyl formamide), and water as solvents, adopting sodium iodide as an activating agent and tetrabutylammonium bromide (TBAB) as a phase transfer catalyst through three-step reaction. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 53, p. 3841, 1988 DOI: 10.1021/jo00251a033 |
| | 3-Oxocyclobutanecarboxylic acid Preparation Products And Raw materials |
| Preparation Products | 3,3-Difluorocyclobutanecarboxylic acid-->5,8-Dioxaspiro[3.4]octane-2-Methanol-->Methyl 3-broMocyclobutane-1-carboxylate-->3-BroMocyclobutanone-->3-Hydroxy-cyclobutanecarboxylic acid ethyl ester-->Methyl cis-3-hydroxycyclobutanecarboxylate-->Carbamic acid, (3-hydroxycyclobutyl)-, 1,1-dimethylethyl ester (9CI)-->3-METHYLENECYCLOBUTANECARBOXYLIC ACID-->3-Oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester-->isopropyl3-oxocyclobutane-1-carboxylate-->Cyclobutanecarboxamide, N,N-dimethyl-3-oxo-, diethyl acetal (6CI)-->3,3-difluorocyclobutane-1-carbonyl chloride-->N-((3-chloropyrazin-2-yl)Methyl)-3-oxocyclobutanecarboxaMide |
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