408573

Diethyl (1-cyanoethyl)phosphonate

97%

• Synonym(s): (1-Cyanoethyl)phosphonic acid diethyl ester, NSC 135193
• Linear Formula: CH₃CH(CN)P(O)(OC₂H₅)₂
• CAS Number: 29668-61-9
• Molecular Weight: 191.16
• MDL number: MFCD01457302
• UNSPSC Code: 12352108
• PubChem Substance ID: 24865577
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• reaction suitability: reaction type: C-C Bond Formation
• refractive index: n20/D 1.432 (lit.)
• bp: 140-141 °C/11 mmHg (lit.)
• density: 1.085 g/mL at 25 °C (lit.)
• functional group: nitrile; phosphonate
• SMILES string: CCOP(=O)(OCC)C(C)C#N
• InChI: 1S/C7H14NO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h7H,4-5H2,1-3H3
• InChI key: UMLWEPGSWQNXQX-UHFFFAOYSA-N

Description

Application

Reacant for:

• Preparation of sphingosine phosphate receptor (S1P) agonists with N-cinnamyl-ß-alanine moiety
• Preparation of benzyl- and benzoyldimethylaminopyridinones as HIV-1 reverse transcriptase inhibitors
• Stereoselective preparation of cyano(trifluoromethyl)pentenenitriles via alkylation, followed by elimination reaction
• Synthesis of [(methylenepiperidinyl) or (methylenepyrrolidinyl)fluorophenyl]oxazolidinone antibacterial agents
• Horner-Wadsworth-Emmons olefination

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves