(3-Ethoxycarbonyl-2-methylallyl)triphenylphosphonium bromide

• CAS: 29310-37-0
• Catalog Number: ACM29310370
• Category: Other Products
• Molecular Weight: 469.35
• Molecular Formula: C25H26BrO2P
• Synonyms: (3-Carboxy-2-methylallyl)triphenyl-phosphonium-bromide ethyl ester
• IUPAC Name: (4-Ethoxy-2-methyl-4-oxobut-2-enyl)-triphenylphosphanium;bromide
• Canonical SMILES: CCOC(=O)C=C(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C25H26O2P.BrH/c1-3-27-25(26)19-21(2)20-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-19H,3,20H2,1-2H3;1H/q+1;/p-1
• InChI Key: YTCUHHGAWIKMBX-UHFFFAOYSA-M
• Melting Point: 190ºC (dec)
• Solubility: Soluble in acetonitrile, dimethylformamide and tetrahydrofuran
• Appearance: White solid
• Storage: Storage at -4 °C (1-2weeks), longer storage period at -20 °C (1-2years)
• Complexity: 463
• Covalently-Bonded Unit Count: 2
• Exact Mass: 468.08538
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 29
• Monoisotopic Mass: 468.08538
• Topological Polar Surface Area: 26.3 Ų