2-Methyl-2-propanyl (2E)-3-phenylacrylate
[CAS# 7042-36-6]

Identification

• Name: 2-Methyl-2-propanyl (2E)-3-phenylacrylate
• Synonyms: 2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester; 3-Phenyl-acrylic acid tert-butyl ester; 3-Phenyl-acrylic acid tert-butyl ester; (Zintsäure-tert-butylester); (TERT-BUTYL-CINNAMATE)
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• CAS Registry Number: 7042-36-6
• SMILES: CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1
• InChI: 1S/C13H16O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
• InChIKey: AGKLVMVJXDFIGC-MDZDMXLPSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 290.8±9.0°C at 760 mmHg (Cal.)
• Flash point: 150.7±9.9°C (Cal.)

References

• (1): Koutsaplis Magdaline. A new diastereoselective aza-allyl conjugate addition–Michael addition–ring closure reaction sequence and its application in the construction of six contiguous stereogenic centres, Chemical Communications, 2007