tert-Butyl crotonate

CAS: 79218-15-8

Ref. 3D-FT145396

Product Information

• Name: tert-Butyl crotonate
• Synonyms: Crotonic acid tert-butyl ester
• CAS: 79218-15-8

Description

Tert-Butyl crotonate is a synthetic compound that is used in organic synthesis. It can be prepared by the elimination of carbon dioxide from crotonic acid with sodium carbonate, which produces tert-butyl crotonate and sodium bicarbonate. Tert-Butyl crotonate can also be obtained from naphthalene through anhydrous sodium chlorite or hydrochloric acid. The chemical reactions are summarized in the following scheme:

The tert-butyl group has an asymmetric center, so there are two possible enolate forms. The enolate form on the right is more stable because it has less steric hindrance from the tert-butyl group. This means that it will react faster with carbonyl compounds to give products with higher yields.

• Brand: Biosynth

Chemical properties

• Molecular weight: 142.2 g/mol
• Formula: C₈H₁₄O₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5-6H,1-4H3/b6-5+
• InChI key: InChIKey=QHSPZGZEUDEIQM-AATRIKPKSA-N
• SMILES: C/C=C/C(=O)OC(C)(C)C