Methyl 2-(triphenylphosphoranylidene)propanoate

• CAS: 2605-68-7
• Catalog Number: ACM2605687
• Category: Other Products
• Molecular Weight: 348.382g/mol
• Molecular Formula: C22H21O2P
• Synonyms: WCXPAYJKBTVUBC-UHFFFAOYSA-N; Methyl 2-(triphenylphosphoranediyl)propionate; AKOS016005567; 1-carbomethoxyethylidene triphenylphosphine; Propanoic acid,2-(triphenylphosphoranylidene)-, methyl ester; AK102660; methyl 2-(triphenylphosphoranylidene)propionate; Methyl 2-(triphenylphosphoranylidene)propanoate; Propanoic acid, 2-(triphenylphosphoranylidene)-, methyl ester; [1-(methoxycarbonyl)ethylidene]triphenylphosphorane
• IUPAC Name: methyl 2-(triphenyl-λ5-phosphanylidene)propanoate
• Canonical SMILES: CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
• InChI: InChI=1S/C22H21O2P/c1-18(22(23)24-2)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3
• InChI Key: WCXPAYJKBTVUBC-UHFFFAOYSA-N
• Complexity: 440
• Covalently-Bonded Unit Count: 1
• Exact Mass: 348.128g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 25
• Monoisotopic Mass: 348.128g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 26.3A^2

Synthetic Use

Upstream Synthesis Route 1

• 5445-17-0
• 603-35-0

• 2605-68-7

Reference: [1] Patent: KR2015/77974, 2015, A, . Location in patent: Paragraph 0033-0034; 0053-0055

Upstream Synthesis Route 2

• 2689-62-5

• 2605-68-7

Reference: [1] Journal of the American Chemical Society, 1992, vol. 114, # 15, p. 6044 - 6050

Upstream Synthesis Route 3

• 56904-90-6

• 2605-68-7

Reference: [1]European Journal of Organic Chemistry,1999,p. 2909 - 2914
[2]Chemische Berichte,1962,vol. 95,p. 2921 - 2927
[3]Tetrahedron Letters,1990,vol. 31,p. 5153 - 5156
[4]Angewandte Chemie - International Edition,2014,vol. 53,p. 1910 - 1914
Angew. Chem.,2014,vol. 53,p. 1941 - 1945,5

Downstream Synthesis Route 1

• 480-96-6
• 2605-68-7

• 1865-11-8

Reference: [1] Tetrahedron, 1986, vol. 42, # 13, p. 3631 - 3636

Downstream Synthesis Route 2

• 75-36-5
• 2605-68-7

• 18913-37-6

Reference: [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,1992,vol. 47,p. 1785 - 1794
[2]Journal of the American Chemical Society,2007,vol. 129,p. 12981 - 12988
[3]Journal of the American Chemical Society,2019,vol. 141,p. 1135 - 1140
[4]Helvetica Chimica Acta,1979,vol. 62,p. 1458 - 1465

Downstream Synthesis Route 3

• 2528-61-2
• 2605-68-7

• 71182-79-1

Reference: [1]Journal of Organic Chemistry,1997,vol. 62,p. 367 - 371
[2]Helvetica Chimica Acta,1979,vol. 62,p. 1025 - 1039

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