Methyl 4-(dimethoxyphosphoryl)but-2-enoate

Base Information

• Chemical Name: Methyl 4-(dimethoxyphosphoryl)but-2-enoate
• CAS No.: 86120-40-3
• Molecular Formula: C7H13O5P
• Molecular Weight: 208.1489
• Hs Code.: 2931900090
• European Community (EC) Number: 677-024-9
• Nikkaji Number: J1.185.529F
• Mol file: 86120-40-3.mol

Synonyms:86120-40-3;methyl 4-(dimethoxyphosphoryl)but-2-enoate;methyl (E)-4-dimethoxyphosphorylbut-2-enoate;trimethyl 4-phosphonocrotonate;SCHEMBL2643199;PESRINKNQQZURC-SNAWJCMRSA-N;MFCD00051564;Methyl-4-(dimethylphosphono)crotonate;AKOS017343521;methyl4-(dimethoxyphosphoryl)but-2-enoate;Trimethyl 4-phosphonocrotonate, (E)+(Z);(E)-4-(dimethoxy-phosphoryl)-but-2-enoic acid methyl ester

Chemical Property of Methyl 4-(dimethoxyphosphoryl)but-2-enoate

Chemical Property:

• Appearance/Colour: clear orange liquid
• Vapor Pressure: 0.00329mmHg at 25°C
• Refractive Index: 1.437
• Boiling Point: 282.8 °C at 760 mmHg
• Flash Point: 138.8 °C
• PSA: 71.64000
• Density: 1.169 g/cm³
• LogP: 1.20150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 208.05006051
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Trimethyl-4-phosphonocrotonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CCP(=O)(OC)OC
• Isomeric SMILES: COC(=O)/C=C/CP(=O)(OC)OC
• Uses: Trimethyl-4-phosphonocrotonate is used in the preparation of thiazole derivatives related to leinamycin and their DNA-binding/alkylation properties.Trimethyl-4-phosphonocrotonate is also used as a reagent in the Wttig reaction with isopropylmethylenehexanal in the study of intramolecular routes to hydrindanes.Trimethyl-4-phosphonocrotonate is a starting material used in the polymerization of lipids in inverted hexagonal phase.