338958

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

technical grade, 80%

• 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: 41891-54-7
• Molecular Weight: 264.26
• Beilstein/REAXYS Number: 2417880
• MDL number: MFCD00075151
• UNSPSC Code: 12352108
• PubChem Substance ID: 24860594
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• 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

Description

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

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)