Hydrocinchonine

• CAS: 485-65-4
• Catalog Number: ACM485654
• Category: Other Products
• Molecular Weight: 296.414g/mol
• Molecular Formula: C19H24N2O
• Synonyms: (1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol; Dihydrocinchonine; AK112137; AJ-64432; ZINC13826669; AC-30195; (9S)-10,11-Dihydrocinchonan-9-ol; Hydrocinchonine, >=95.0% (sum of enantiomers, HPLC); ZPF9J31NM8; SCHEMBL192607
• IUPAC Name: (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
• Canonical SMILES: CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
• InChI: InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18+,19-/m0/s1
• InChI Key: WFJNHVWTKZUUTR-QAMTZSDWSA-N
• Complexity: 388
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• EC Number: 207-621-8
• Exact Mass: 296.189g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Monoisotopic Mass: 296.189g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 36.4A^2
• UNII: ZPF9J31NM8

Synthetic Use

Upstream Synthesis Route 1

• 118-10-5

• 485-65-4

Reference: [1]Lian, Mingming; Li, Zhi; Du, Jian; Meng, Qingwei; Gao, Zhanxian
[European Journal of Organic Chemistry, 2010, # 34, p. 6525 - 6530]

Upstream Synthesis Route 2

• 109922-57-8

• 485-65-4

Reference: [1]Brown, Richard T.; Curless, Dale
[Tetrahedron Letters, 1986, vol. 27, # 49, p. 6005 - 6008]