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338958

Sigma-Aldrich

Triethyl 3-methyl-4-phosphono-2-butenoate, mixture of cis and trans

technical grade, 80%

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Synonym(s):
Diethyl 3-ethoxycarbonyl-2-methyl-2-propenyl phosphonate, Triethyl 3-methyl-4-phosphonocrotonate, Triethyl 4-phosphonosenecioate, mixture of cis and trans
Linear Formula:
(C2H5O)2P(O)CH2C(CH3)=CHCO2C2H5
CAS Number:
Molecular Weight:
264.26
Beilstein:
2417880
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Quality Level

Assay

80%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.46 (lit.)

density

1.089 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)\C=C(/C)CP(=O)(OCC)OCC

InChI

1S/C11H21O5P/c1-5-14-11(12)8-10(4)9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+

InChI key

OQKGPUSERILONW-CSKARUKUSA-N

Application

Reactant for preparation of:
  • Bicyclodecenes and oxabicyclodecenes via intramolecular [4 + 3]-cycloaddition, using alkylation, olefination and coupling
  • Methyloctatrienoic acid retinoid X receptor modulators from insulin sensitizers for the treatment of type II diabetes

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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