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| | 1,3-Butadiene-1-carboxylic acid methyl ester Basic information |
| Product Name: | 1,3-Butadiene-1-carboxylic acid methyl ester | | Synonyms: | Methyl 2,4-pentadienoate, stabilized with 0.5% hydroquinone, stabilized with 0.5% hydroquinone, 97%;Methyl 2,4-pentadienoate Mixture of cis and trans, >=97.0% (GC);Methyl 2,4-pentadienoate,1,3-Butadiene-1-carboxylic acid methyl ester, 2,4-Pentadienoic acid methyl ester, Methyl 1,3-butadiene-1-carboxylate;(E)-Methyl 2,4-Pentadienoate;METHYL PENTANEDIENOATE;METHYL 2,4-PENTADIENOATE;METHYL 1,3-BUTADIENE-1-CARBOXYLATE;2,4-pentadienoic acid methyl ester | | CAS: | 1515-75-9 | | MF: | C6H8O2 | | MW: | 112.13 | | EINECS: | 216-158-0 | | Product Categories: | | | Mol File: | 1515-75-9.mol |  |
| | 1,3-Butadiene-1-carboxylic acid methyl ester Chemical Properties |
| Boiling point | 50-52 °C20 mm Hg(lit.) | | density | 0.964 g/mL at 20 °C | | refractive index | n20/D 1.484 | | Fp | 37 °C | | storage temp. | -20°C | | solubility | sol most organic solvents | | form | liquid | | Appearance | Colorless to light yellow Liquid | | BRN | 1743332 | | InChI | 1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3 | | InChIKey | LJDLNNZTQJVBNJ-UHFFFAOYSA-N | | SMILES | COC(=O)C=CC=C | | LogP | 1.340 (est) |
| Hazard Codes | Xi | | Risk Statements | 10-36/37/38-52/53 | | Safety Statements | 26-36-61 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 3 | | F | 8 | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29161995 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Chronic 3
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | 1,3-Butadiene-1-carboxylic acid methyl ester Usage And Synthesis |
| Uses | 1,3-BUTADIENE-1-CARBOXYLIC ACID METHYL ESTER is used as a electron-poor diene capable of cycloaddition reactions with activated dienophiles to form carbocyclic and heterocyclic compounds; metal-promoted [6 + 4] cycloadditions and metal-promoted chain extensions.
| | Preparation |
1,3-BUTADIENE-1-CARBOXYLIC ACID METHYL ESTER is prepared by Wittig alkenation of Acrolein with (Methoxycarbonylmethylene)triphenylphosphorane; reaction of Malonic Acid with acrolein, followed by esterification.
| | Synthesis Reference(s) | Journal of the American Chemical Society, 94, p. 4395, 1972 DOI: 10.1021/ja00767a088
Synthesis, p. 534, 1988 DOI: 10.1055/s-1988-27626 | | General Description | Methyl 2,4-pentadienoate undergoes Aza-Morita-Baylis-Hillman reaction with aldimines in DMF in the presence of 3-hydroxyquinuclidine. | | Precautions | Polymerizes easily.
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| | 1,3-Butadiene-1-carboxylic acid methyl ester Preparation Products And Raw materials |
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