6-Cyano-2-naphthol

• CAS: 52927-22-7
• Catalog Number: ACM52927227
• Category: Other Products
• Molecular Weight: 169.18
• Molecular Formula: C11H7NO
• Synonyms: 2-Hydroxy-6-naphthonitrile
• IUPAC Name: 6-Hydroxynaphthalene-2-carbonitrile
• Canonical SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C#N
• InChI: InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
• InChI Key: WKTNIBWKHNIPQR-UHFFFAOYSA-N
• Boiling Point: 383.1±15.0 °C
• Melting Point: 165.5-170.5 °C
• Density: 1.28±0.1 g/cm³
• Complexity: 230
• Covalently-Bonded Unit Count: 1
• Exact Mass: 169.052763847
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Monoisotopic Mass: 169.052763847
• Physical State: Solid
• Rotatable Bond Count: 0
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 44 Ų
• XLogP3: 2.4

Synthetic Use

Upstream Synthesis Route 1

• 78119-71-8
• 107-13-1

• 52927-22-7
• 130200-58-7

Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[2] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361
[3] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[4] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361

Upstream Synthesis Route 2

• 78119-72-9
• 107-13-1

• 52927-22-7
• 130200-58-7

Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 2, p. 303 - 306[2] Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 2, p. 358 - 361

Upstream Synthesis Route 3

• 15231-91-1

• 52927-22-7

Reference: [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 1458 - 1471
[2]Patent: US6221914,2001,B1
[3]Patent: US6495562,2002,B1
[4]Patent: US6258822,2001,B1

Upstream Synthesis Route 4

• 78119-72-9
• 107-13-1

• 52927-22-7
• 130200-58-7

Reference: [1]Journal of Organic Chemistry USSR (English Translation),1981,vol. 17,p. 303 - 306
Zhurnal Organicheskoi Khimii,1981,vol. 17,p. 358 - 361

Downstream Synthesis Route 1

• 52927-22-7

• 17579-79-2

Reference: [1] Synlett, 2011, # 14, p. 2025 - 2028

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