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408573

Diethyl (1-cyanoethyl)phosphonate

97%

Synonym(s):

(1-Cyanoethyl)phosphonic acid diethyl ester, NSC 135193

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About This Item

Linear Formula:
CH3CH(CN)P(O)(OC2H5)2
CAS Number:
29668-61-9
Molecular Weight:
191.16
NACRES:
NA.22
PubChem Substance ID:
24865577
UNSPSC Code:
12352108
MDL number:
MFCD01457302
Assay:
97%
Form:
liquid
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Quality Segment

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

Application

Reacant for:
  • Preparation of sphingosine phosphate receptor (S1P) agonists with N-cinnamyl-β-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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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