trans-N-(1E)-1,3-Butadien-1-yl-carbamic acid 2,2,2-trichloroethyl ester

CAS: 77627-82-8

Ref. 3D-FB19368

Product Information

• Name: trans-N-(1E)-1,3-Butadien-1-yl-carbamic acid 2,2,2-trichloroethyl ester
• Synonyms: (E)-1,3-Butadienyl-carbamic acid 2,2,2-trichloroethyl ester2,2,2-Trichloroethyl trans-1,3-butadiene-1-carbamate

Description

The preparation of trans-N-(1E)-1,3-butadien-1-yl-carbamic acid 2,2,2-trichloroethyl ester begins with the synthesis of 1,3-butadiene. The butadiene is then heated with a chloroformate in refluxing hexane to produce trans-N-(1E)-1,3-butadien-1-yl-carbamic acid 2,2,2-trichloroethyl ester. A preparative method for this compound includes reacting ethyl chloroformate and malonic acid in toluene followed by reduction with pyridine. This process yields the desired product in high purity and yield.

• Brand: Biosynth

Chemical properties

• Molecular weight: 244.5 g/mol
• Formula: C₇H₈Cl₃NO₂
• Purity: Min. 95%
• InChI: InChI=1S/C7H8Cl3NO2/c1-2-3-4-11-6(12)13-5-7(8,9)10/h2-4H,1,5H2,(H,11,12)/b4-3+
• InChI key: InChIKey=NERUESRQTJURBD-ONEGZZNKSA-N
• SMILES: C=C/C=C/NC(=O)OCC(Cl)(Cl)Cl