4'-Acetylbenzo-15-crown 5-ether

• CAS: 41757-95-3
• Catalog Number: ACM41757953
• Category: Other Products
• Molecular Weight: 310.34
• Molecular Formula: C₁₆H₂₂O₆
• Synonyms: Cetylbenzo-15-crown-5, MLS001047149, STOCK2S-84274, BRN 1595254, MolPort-000-255-204, 4-Acetylbenzo-15-crown 5-Ether, ZINC03897289, CID3038641, LS-67560, SMR000427502, A1603, AE-641/00796006, 1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethanone, 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene, Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-, 1-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-yl)-ethanone, 41757-95-3
• IUPAC Name: 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-18-yl)ethanone
• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCO2
• InChI Key: XNJYHEGDUAQGEE-UHFFFAOYSA-N
• Boiling Point: 481.1ºC at 760mmHg
• Melting Point: 95-97ºC
• Flash Point: 213.3ºC
• Density: 1.097g/cm³
• Exact Mass: 310.14200
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 638-56-2
• 1197-09-7

• 41757-95-3

Reference: [1]Sakata, Kazunori; Shimoda, Manabu; Hashimoto, Mamoru
[Journal of Heterocyclic Chemistry, 1996, vol. 33, # 6, p. 1593 - 1598]
[2]Inoue, Yoshihisa; Nakagawa, Kazuharu; Hakushi, Tadao
[Journal of the Chemical Society, Dalton Transactions, 1993, # 15, p. 2279 - 2281]

Downstream Synthesis Route 1

• 867-13-0
• 41757-95-3

• 99809-84-4

Reference: [1]Kano, Shinzo; Yokomatsu, Tsutomu; Nemoto, Hajime; Shibuya, Shiroshi
[Tetrahedron Letters, 1985, vol. 26, # 12, p. 1531 - 1534]
[2]Kano; Yokomatsu; Nemoto; Shibuya
[Journal of Organic Chemistry, 1986, vol. 51, # 4, p. 561 - 564]

Downstream Synthesis Route 2

• 41757-95-3
• 60835-74-7

• 135442-23-8

Reference: [1]Luboch; Cygan; Biernat
[Tetrahedron, 1991, vol. 47, # 24, p. 4101 - 4112]

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