2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine

• CAS: 118949-63-6
• Catalog Number: ACM118949636
• Category: Other Products
• Molecular Weight: 329.444g/mol
• Molecular Formula: C19H27N3O2
• Synonyms: FT-0773296; 2,6-BIS[(4S)-4-TERT-BUTYL-2-OXAZOLIN-2YL]PYRIDINE; 2,6-Bis[(4S)-4-(2-methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine; Pyridine,2,6-bis[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-; CS-0086523; CTK4B0972; ZB011223; 2,6-bis((S)-4-tert-butyl-4,5-dihydrooxazol-2-yl)pyridine; 949B636; I14-42237
• IUPAC Name: (4S)-4-tert-butyl-2-[6-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
• Canonical SMILES: CC(C)(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)(C)C
• InChI: InChI=1S/C19H27N3O2/c1-18(2,3)14-10-23-16(21-14)12-8-7-9-13(20-12)17-22-15(11-24-17)19(4,5)6/h7-9,14-15H,10-11H2,1-6H3/t14-,15-/m1/s1
• InChI Key: UBWMXPSQXYYPJG-HUUCEWRRSA-N
• Complexity: 482
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 329.21g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 24
• Monoisotopic Mass: 329.21g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 56.1A^2

Synthetic Use

Upstream Synthesis Route 1

• 3739-94-4
• 112245-13-3

• 118949-63-6

Reference: [1] Organic letters, 2000, vol. 2, # 7, p. 1001 - 1004

Upstream Synthesis Route 2

• 2893-33-6
• 112245-13-3

• 118949-63-6

Reference: [1] Angewandte Chemie - International Edition, 2017, vol. 56, # 7, p. 1864 - 1868[2] Angew. Chem., 2017, vol. 129, # 7, p. 1890 - 1894,5
[3] Synlett, 2005, # 15, p. 2321 - 2324

Upstream Synthesis Route 3

• 2893-33-6
• 112245-13-3

• 118949-63-6

Reference: [1] Tetrahedron Asymmetry, 1999, vol. 10, # 19, p. 3803 - 3809

Upstream Synthesis Route 4

• 2893-33-6
• 112245-13-3

• 118949-63-6

Reference: [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 1864 - 1868
Angew. Chem.,2017,vol. 129,p. 1890 - 1894,5
[2]Synlett,2005,p. 2321 - 2324