t-Butyl methyl fumarate
CAS No.:
55556-66-6
M. Wt:
186.205
M. Fa:
C9H14O4
InChI Key:
LEKWCGTZPGQABT-AATRIKPKSA-N
Appearance:
Colorless Liquid
Names and Identifiers of t-Butyl methyl fumarate
CAS Number |
55556-66-6 |
|---|---|
IUPAC Name |
4-O-tert-butyl 1-O-methyl (E)-but-2-enedioate |
InChI |
InChI=1S/C9H14O4/c1-9(2,3)13-8(11)6-5-7(10)12-4/h5-6H,1-4H3/b6-5+ |
InChIKey |
LEKWCGTZPGQABT-AATRIKPKSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)C=CC(=O)OC |
Isomeric SMILES |
CC(C)(C)OC(=O)/C=C/C(=O)OC |
Physical and chemical properties of t-Butyl methyl fumarate
Appearance of Characters |
Oil | Colourless |
|---|---|
Boiling Point |
227.4±13.0 °C at 760 mmHg |
Density |
1.0±0.1 g/cm3 |
Exact Mass |
186.089203 |
Flash Point |
103.1±18.2 °C |
Index of Refraction |
1.445 |
LogP |
1.85 |
Molecular Formula |
C9H14O4 |
Molecular Weight |
186.205 |
Solubility |
Chloroform (Slightly), Methanol (Slightly) |
Stability |
Light Sensitive |
Storage condition |
Amber Vial, Refrigerator |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Water Solubility |
Chloroform (Slightly), Methanol (Slightly) |
Applications of t-Butyl methyl fumarate
t-Butyl methyl fumarate finds applications in various fields:
- Polymer Industry: It serves as a monomer for synthesizing polymers and copolymers due to its reactive double bond.
- Pharmaceuticals: Although not extensively studied for medicinal use, its structural similarities with other biologically active fumarates suggest potential applications in drug formulation.
- Chemical Intermediates: It can act as an intermediate in organic synthesis for producing other chemical compounds.
Interaction Studies of t-Butyl methyl fumarate
Interaction studies involving t-Butyl methyl fumarate primarily focus on its reactivity with other functional groups during chemical synthesis. The compound's ability to undergo hydrolysis and participate in polymerization reactions indicates its potential for interactions with nucleophiles and electrophiles in various chemical environments. Further research could elucidate more specific interactions relevant to biological systems or material science.
Physical sample testing spectrum (NMR) of t-Butyl methyl fumarate
