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| | Methyl 4-chloro-4-oxobutanoate Basic information |
| Product Name: | Methyl 4-chloro-4-oxobutanoate | | Synonyms: | 3-(Chlorocarbonyl)propionic acid methyl ester;3-Methoxycarbonylpropionic acid chloride;3-Methoxycarbonylpropionyl chloride;4-Chloro-4-oxobutanoic acid methyl ester;4-Chloro-4-oxobutyric acid methyl ester;4-Oxo-4-chlorobutanoic acid methyl ester;Methyl succinyl chloride,97%;Methyl 4-chloro-4-oxobutyrate | | CAS: | 1490-25-1 | | MF: | C5H7ClO3 | | MW: | 150.56 | | EINECS: | 216-077-0 | | Product Categories: | | | Mol File: | 1490-25-1.mol |  |
| | Methyl 4-chloro-4-oxobutanoate Chemical Properties |
| Melting point | 174-176 °C(Solv: N,N-dimethylformamide (68-12-2)) | | Boiling point | 58-65 °C3 mm Hg(lit.) | | density | 1.230 g/mL at 20 °C | | refractive index | n20/D 1.44(lit.) | | Fp | 165 °F | | storage temp. | Inert atmosphere,2-8°C | | form | Liquid | | Specific Gravity | 1.223 | | color | Colorless to pale yellow | | BRN | 970397 | | InChI | InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3 | | InChIKey | SRXOJMOGPYFZKC-UHFFFAOYSA-N | | SMILES | C(OC)(=O)CCC(Cl)=O | | CAS DataBase Reference | 1490-25-1(CAS DataBase Reference) | | EPA Substance Registry System | Butanoic acid, 4-chloro-4-oxo-, methyl ester (1490-25-1) |
| Hazard Codes | C | | Risk Statements | 34-37 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 3265 8/PG 2 | | WGK Germany | 3 | | F | 10-13-21 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29183000 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | Methyl 4-chloro-4-oxobutanoate Usage And Synthesis |
| Chemical Properties | Clear colorless to pale yellow liquid | | Uses | Methyl 4-chloro-4-oxobutanoate acts as a synthetic precursor that reacts with indoline to yield the corresponding methyl ester derivative, and serves to generate ketene in situ for constructing cyclobutane rings via [2+2] cycloaddition with alkyl vinyl ethers[1-2]. | | Synthesis Reference(s) | Journal of the American Chemical Society, 75, p. 3339, 1953 DOI: 10.1021/ja01110a014
Organic Syntheses, Coll. Vol. 3, p. 169, 1955 | | References | [1]
Zhao, Y., Svensson, F., Steadman, D., Frew, S., Monaghan, A., Bictash, M., Moreira, T., Chalk, R., Lu, W., Fish, P. V., & Jones, E. Y. (2021). Structural Insights into Notum Covalent Inhibition. Journal of Medicinal Chemistry, 64(15), 11354–11363. https://doi.org/10.1021/acs.jmedchem.1c00701
[2]
Nosyk, D. A., Lukyanenko, S. Y., Granat, D. S., Skrypnik, D., Chigrinov, V., Liashuk, O. S., Shishkina, S. V., Savchenko, T., Yurchenko, O. O., & Grygorenko, O. O. (2025). Synthesis and Physicochemical Characterization of 2‐Azabicyclo[3.2.0]heptane Building Blocks. European Journal of Organic Chemistry, 28(47). https://doi.org/10.1002/ejoc.202500970 |
| | Methyl 4-chloro-4-oxobutanoate Preparation Products And Raw materials |
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