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| | Ethyl 3,3-dimethylacrylate Basic information |
| | Ethyl 3,3-dimethylacrylate Chemical Properties |
| Melting point | -62.68°C (estimate) | | Boiling point | 154-155 °C (lit.) | | density | 0.922 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.436(lit.) | | Fp | 93 °F | | storage temp. | Store at room temperature | | Water Solubility | Insoluble in water | | form | clear liquid | | color | Colorless to Almost colorless | | Stability: | Stable. Flammable. Incompatible with acids, bases, oxidizing agents, reducing agents. | | InChI | InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3 | | InChIKey | UTXVCHVLDOLVPC-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)/C=C(/C)\C | | LogP | 2.225 (est) | | CAS DataBase Reference | 638-10-8(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Butenoic acid, 3-methyl-, ethyl ester(638-10-8) | | EPA Substance Registry System | 2-Butenoic acid, 3-methyl-, ethyl ester (638-10-8) |
| Hazard Codes | Xi | | Risk Statements | 10-36/37/38 | | Safety Statements | 16-29-33-28-26 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 2 | | RTECS | GQ5750000 | | TSCA | TSCA listed | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29161900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Ethyl 3,3-dimethylacrylate Usage And Synthesis |
| Chemical Properties | liquid | | Uses | Ethyl 3,3-dimethylacrylate was used in the synthesis of:
- 3-benzylmercupto-3-methylbutanoic acid ethylester
- cis-2-cyano-3,3-dimethylcyclopropanecarboxylic acid, precursor for the synthesis of cis-pyrethroids
- 1-[13CD3]-9-cis-retinoic acid
| | General Description | Ion-molecule reactions between the O=P(OCH3)2+phosphonium ions and ethyl 3,3-dimethylacrylate has been investigated by quadrupole ion trap mass spectrometery. | | Synthesis | A suspension of 60% NaH in mineral oil (4.12 g, 0.11 mol, 1.2 eq.) in dry THF (100 mL) was cooled under nitrogen to 0C. A solution of triethyl acetate phosphate (22.1 mL, 0.11 mol, 1.3 eq.) in dry THF (30 mL) was then added. After stopping the bubbling, acetone (6.3 mL, 0.09 mol, 1 eq.) was added and the resulting mixture was heated to room temperature and stirred overnight. The mixture was quenched by the addition of water (100 mL) and then extracted with ether (2 x 100 mL). The combined organic extracts were washed with water (150 mL) followed by brine (150 mL). The organic layer was dried with anhydrous MgSO4 and the solvent was removed under vacuum. The crude product was purified using rapid chromatography (19:1 pentane:ether) to afford the pale yellow oily product ethyl 3-methyl-2-butenoate (9.67 g, 88%).
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| | Ethyl 3,3-dimethylacrylate Preparation Products And Raw materials |
| Preparation Products | 4,6-Dimethyl-2-pyrone-->Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 3-methyl-2-buten-1-yl ester-->Succinic acid, 3-cyano-2,2-dimethyl-, diethyl ester (6CI)-->Ethyl 1-benzyl-4,4-diMethylpyrrolidine-3-carboxylate-->Ethyl 2,3 - dibroMo - 3 - Methylbutanoate-->6-FLUORO-3,3-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE |
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