1,4,7,10,13-Pentaoxa-16-azacyclooctadecane

• CAS: 33941-15-0
• Catalog Number: ACM33941150-2
• Category: Other Products
• Molecular Weight: 263.33
• Molecular Formula: C12H25NO5
• Synonyms: 1-Aza-18-crown-6
• IUPAC Name: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• Canonical SMILES: C1COCCOCCOCCOCCOCCN1
• InChI: NBXKUSNBCPPKRA-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2
• Boiling Point: 404 °C at 760 mmHg
• Melting Point: 51-54 °C
• Flash Point: 113 °C
• Appearance: Beige crystalline
• EC Number: 251-751-8
• Exact Mass: 263.17300
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Isomeric SMILES: C1COCCOCCOCCOCCOCCN1
• Safety Description: 26
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 63281-62-9

• 33941-15-0

Reference: [1] Journal of the American Chemical Society, 1985, vol. 107, p. 6659
[2] Journal of Organic Chemistry, 1986, vol. 51, # 25, p. 4974 - 4979
[3] Journal of the Chemical Society, Chemical Communications, 1982, # 4, p. 242 - 243
[4] Russian Journal of Organic Chemistry, 2012, vol. 48, # 10, p. 1345 - 1352[5] Zh. Org. Khim., 2012, vol. 48, # 10, p. 1350 - 1357,8

Upstream Synthesis Route 2

• 37860-51-8
• 111-42-2

• 33941-15-0

Reference: [1] Bulletin of the Chemical Society of Japan, 1983, vol. 56, # 1, p. 212 - 218
[2] Polyhedron, 2018, vol. 141, p. 385 - 392
[3] Phosphorus, Sulfur and Silicon and the Related Elements, 2006, vol. 181, # 1, p. 219 - 225
[4] Journal of the Chemical Society, Chemical Communications, 1981, # 10, p. 471 - 472

Upstream Synthesis Route 3

• 118798-05-3

• 33941-15-0

Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 25, p. 4974 - 4979

Downstream Synthesis Route 1

• 33941-15-0
• 100-39-0

• 63281-62-9

Reference: [1]Tsukube, Hiroshi; Uenishi, Jun'ichi; Higaki, Hiromi; Kikkawa, Ken'ichi; Tanaka, Takakazu; et al.
[Journal of Organic Chemistry, 1993, vol. 58, # 16, p. 4389 - 4397]
[2]Johnson,M.R. et al.
[Journal of the Chemical Society. Perkin transactions I, 1979, p. 357 - 371]

Downstream Synthesis Route 2

• 33941-15-0
• 25711-25-5

• 147688-17-3

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1993,p. 21 - 26

Downstream Synthesis Route 3

• 33941-15-0
• 142-79-0

• 74776-67-3

Reference: [1]Johnson, Martin R.; Sutherland, Ian O.; Newton, Roger F.
[Journal of the Chemical Society. Perkin transactions I, 1980, p. 586 - 600]

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