Diisopropyl (cyanomethyl)phosphonate
Diisopropyl (cyanomethyl)phosphonate (CAS 21658-95-7) is an organophosphorus compound with the linear formula NCCH2P(O)[OCH(CH3)2]2 and a molecular weight of 205.19 g/mol. This reagent is primarily utilised in synthetic organic chemistry for carbon-carbon bond formation. It serves as a key component in Horner-Wadsworth-Emmons reactions, facilitating the olefination of carbonyl compounds.
![Diisopropyl (cyanomethyl)phosphonate (NCCH2P(O)[OCH(CH3)2]2) — chemical structure, CAS 21658-95-7; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F21658-95-7.png&w=3840&q=75)
Horner-Wadsworth-Emmons Reagent
Diisopropyl (cyanomethyl)phosphonate is a versatile reagent for the olefination of aldehydes and ketones. It enables the stereoselective synthesis of alpha,beta-unsaturated nitriles.
C-C Bond Formation
This compound is instrumental in creating new carbon-carbon bonds, a fundamental transformation in organic synthesis. It contributes to the construction of complex molecular architectures.
Chemical Synthesis
As a synthetic reagent, it finds broad application in the preparation of various organic molecules, including pharmaceuticals and fine chemicals, where precise functional group manipulation is required.
Olefination Reactions
It is specifically employed in olefination strategies, offering a reliable method for introducing double bonds into organic structures, often with controlled stereochemistry.
| Molecular weight | 205.19 |
|---|---|
| Linear formula | NCCH2P(O)[OCH(CH3)2]2 |
| Assay | 97% |
| Boiling point | 108-110 °C/0.08 mmHg(lit.) |
| Density | 1.039 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.428(lit.) |
Hazard statements
- H301Toxic if swallowed
- H311Toxic in contact with skin
- H314Causes severe skin burns and eye damage
- H331Toxic if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 2922 8/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T |
| Risk statements (R) | 23/24/25-34 |
| Safety statements (S) | 23-26-36/37/39-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Diisopropyl (cyanomethyl)phosphonate used for?
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Diisopropyl (cyanomethyl)phosphonate (CAS 21658-95-7) is primarily used for C-C bond formation and olefination reactions, particularly as a Horner-Wadsworth-Emmons reagent in chemical synthesis.
What is the CAS number and formula for Diisopropyl (cyanomethyl)phosphonate?
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The CAS number is 21658-95-7 and the linear formula is NCCH2P(O)[OCH(CH3)2]2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Diisopropyl (cyanomethyl)phosphonate with a minimum assay of 97%. This product is suitable for research and general chemical synthesis purposes. TSS does not represent this product as USP, BP, or EP grade.
How should Diisopropyl (cyanomethyl)phosphonate be handled safely?
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Diisopropyl (cyanomethyl)phosphonate is a Danger material, toxic if swallowed, in contact with skin, and if inhaled, and causes severe skin burns and eye damage. Handle with appropriate personal protective equipment, including gloves, goggles, and respiratory protection, in a well-ventilated area. Refer to the Safety Data Sheet for detailed handling instructions.
Is Diisopropyl (cyanomethyl)phosphonate a controlled substance?
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The provided data does not indicate that Diisopropyl (cyanomethyl)phosphonate is a controlled substance.
How is Diisopropyl (cyanomethyl)phosphonate packed and shipped?
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Diisopropyl (cyanomethyl)phosphonate is typically packed in accordance with international shipping regulations for hazardous materials. TSS exports globally, ensuring compliance with all relevant transport requirements.
How can I request a quote or sample?
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To request a quote or sample of Diisopropyl (cyanomethyl)phosphonate, please contact the TSS sales team through our website or by phone.
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