(Triphenylphosphoranylidene)acetonitrile

• CAS: 16640-68-9
• Catalog Number: ACM16640689
• Category: Organic Phosphine Compounds
• Molecular Weight: 301.32
• Molecular Formula: C₂₀H₁₆NP
• Synonyms: 2-(Triphenylphosphoranylidene)acetonitrile; (Cyanomethylene)triphenylphosphorane; (Triphenylphosphoranylidene)acetonitrile; (TRIPHENYLPHOSPHORANYLIDENE)ACETONITRILE
• IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)acetonitrile
• Canonical SMILES: C1=CC=C(C=C1)P(=CC#N)(C2=CC=CC=C2)C3=CC=CC=C3
• InChI Key: APISVOVOJVZIBA-UHFFFAOYSA-N
• Boiling Point: 465.3ºC at 760mmHg
• Melting Point: 189-195ºC(lit.)
• Flash Point: 235.2ºC
• Density: 1.16g/cm³
• Appearance: Off-white to light yellow crystalline powder
• EC Number: 240-689-7
• Exact Mass: 301.10200
• Hazard Statements: Xi: Irritant
• Safety Description: 26-36

Synthetic Use

Upstream Synthesis Route 1

• 15898-47-2

• 16640-68-9

Reference: [1] Journal of the American Chemical Society, 2007, vol. 129, # 7, p. 1987 - 1995

Upstream Synthesis Route 2

• 603-35-0
• 590-17-0

• 16640-68-9

Reference: [1] Patent: WO2012/76435, 2012, A1, . Location in patent: Page/Page column 30

Upstream Synthesis Route 3

• 4336-70-3

• 16640-68-9

Reference: [1] Journal of the American Chemical Society, 1984, vol. 106, # 11, p. 3344 - 3353
[2] J. Gen. Chem. USSR (Engl. Transl.), 1987, vol. 57, p. 1366 - 1371[3] Zhurnal Obshchei Khimii, 1987, vol. 57, # 7, p. 1534 - 1540
[4] Journal of Organic Chemistry, 1998, vol. 63, # 22, p. 7764 - 7769

Upstream Synthesis Route 4

• 4336-70-3

• 16640-68-9

Reference: [1]Tetrahedron Letters,1997,vol. 38,p. 953 - 956

Upstream Synthesis Route 5

• 15898-47-2

• 16640-68-9

Reference: [1]Journal of the American Chemical Society,2007,vol. 129,p. 1987 - 1995

Downstream Synthesis Route 1

• 3891-59-6
• 16640-68-9

• 29360-07-4

Reference: [1]Carbohydrate Research,1970,vol. 14,p. 123 - 127

* For details of the synthesis route, please refer to the original source to ensure accuracy.