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CAS RN: 2942-58-7 | Product Number: C1242
Diethyl Cyanophosphonate
Purity: >95.0%(GC)
- Cyanophosphonic Acid Diethyl Ester
- Diethyl Phosphorocyanidate
- DEPC
Size | Unit Price | Philadelphia, PA | Portland, OR | Japan* | Quantity |
---|---|---|---|---|---|
5G |
$78.00
|
2 | 2 | ≥100 |
|
25G |
$228.00
|
Contact Us | 1 | ≥100 |
|
* Items in stock locally ship in 1-2 business days. Items from Japan stock are able to ship from a US warehouse within 2 weeks. Please contact TCI for lead times on items not in stock. Excludes regulated items and items that ship on ice.
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Product Number | C1242 |
Purity / Analysis Method | >95.0%(GC) |
Molecular Formula / Molecular Weight | C__5H__1__0NO__3P = 163.11 |
Physical State (20 deg.C) | Liquid |
Storage Temperature | Room Temperature (Recommended in a cool and dark place, <15°C) |
Store Under Inert Gas | Store under inert gas |
Condition to Avoid | Moisture Sensitive |
CAS RN | 2942-58-7 |
Reaxys Registry Number | 1768938 |
PubChem Substance ID | 87566263 |
SDBS (AIST Spectral DB) | 19035 |
MDL Number | MFCD00010256 |
Appearance | Colorless to Light yellow to Light orange clear liquid |
Purity(GC) | min. 95.0 % |
Boiling Point | 104 °C/20 mmHg |
Flash point | 81 °C |
Specific Gravity (20/20) | 1.09 |
Refractive Index | 1.40 |
Pictogram | |
Signal Word | Danger |
Hazard Statements | H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled. H314 : Causes severe skin burns and eye damage. H227 : Combustible liquid. |
Precautionary Statements | P501 : Dispose of contents/ container to an approved waste disposal plant. P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray. P270 : Do not eat, drink or smoke when using this product. P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking. P271 : Use only outdoors or in a well-ventilated area. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P362 : Take off contaminated clothing and wash before reuse. P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth. P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. P403 + P233 : Store in a well-ventilated place. Keep container tightly closed. P403 + P235 : Store in a well-ventilated place. Keep cool. P405 : Store locked up. |
RTECS# | TD2500000 |
UN Number (DOT-AIR) | UN2922 |
Class (DOT-AIR) | 8/6.1 |
Packing Group (TCI-A) | III |
HS Number | 2926.90.5050 |
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Used Chemicals
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Procedure
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To a 4-necked round-bottom flask was equipped with a magnetic stir bar and charged with 4-biphenylacetic acid (1.91 g, 9.0 mmol, 1 equiv.), benzylamine (1.1 mL, 10.0 mmol, 1.1 equiv.), and DMF (46 mL) under nitrogen atmosphere. Triethylamine (1.7 mL, 12.0 mmol, 1.3 equiv.) was added at room temperature. The flask was cooled to 5 °C in an ice bath and then diethyl cyanophosphonate (2.06 g, 11.0 mmol, 1.2 equiv.) was added dropwise at 5 °C. The mixture was stirred at room temperature for 19 hours. The mixture was poured into water (200 mL). The precipitate was filtered, washed with water (50 mL) and dried under reduced pressure. The obtained crude product was purified by recrystallization (toluene:IPA = 1:1), giving 1 as a white needle-shaped crystal (2.36 g, 87%).
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Experimenter’s Comments
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All operations were done in the fume hood.
The reaction mixture was monitored by TLC (dichloromethane:methanol = 50:1, Rf = 0.61).
The wastewater was adjusted to pH 10 using 1 mol/L NaOH aq. This waste was treated with an aqueous solution of sodium hypochlorite, and confirmed that it was completely decomposed using CN test paper and then discarded.
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Analytical Data
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2-([1,1'-biphenyl]-4-yl)-N-benzylacetamide (1)
1H NMR (400 MHz, CDCl3); δ 8.61 (t, 1H, J = 5.7 Hz), 7.65 (d, 2H, J = 8.2 Hz), 7.61 (d, 2H, J = 8.2 Hz), 7.51–7.43 (m, 2H), 7.42–7.29 (m, 5H), 7.28–7.21 (m, 3H), 4.30 (d, 2H, J = 6.0 Hz), 3.54 (s, 2H).
13C NMR (101 MHz, CDCl3); δ 170.1 140.0, 139.5, 138.3, 135.7, 129.6, 128.9, 128.3, 127.3, 127.3, 126.8, 126.6, 42.3, 42.0.
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Lead Reference
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- Discovery of Antiglioma Activity of Biaryl 1,2,3,4-Tetrahydroisoquinoline Derivatives and Conformationally Flexible Analogues
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Other References
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- Diethylphosphoryl cyanide. A new reagent for the synthesis of amides.
References
- T. Shioiri, J. Synth. Org. Chem. Jpn. 1979, 37, 856.
- S. Harusawa, Y. Hamada, T. Shioiri, Tetrahedron Lett. 1979, 4663.
- S. Harusawa, T. Shioiri, Tetrahedron Lett. 1982, 23, 447.
- R. Yoneda, S. Harusawa, T. Kurihara, Tetrahedron Lett. 1989, 30, 3681.
- T. Kurihara, S. Harusawa, R. Yoneda, J. Synth. Org. Chem. Jpn. 1988, 46, 1164.
- T. Shioiri, Y. Hamada, YAKUGAKU ZASSHI 1988, 108, 1115.
Articles/Brochures
Safety Data Sheet (SDS)
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Specifications
C of A & Other Certificates
Sample C of A
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Analytical Charts
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