(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)

• CAS: 131833-93-7
• Catalog Number: ACM131833937
• Category: Other Products
• Molecular Weight: 294.439g/mol
• Molecular Formula: C17H30N2O2
• Synonyms: MFCD00192243; (4S)-4-tert-butyl-2-{2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl}-4,5-dihydro-1,3-oxazole; AKOS015838464; CI-458; (S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline); 2,2'-Isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]; ZB001872; KS-00000NQ1; CTK4B7549; AC1LELKR
• IUPAC Name: (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
• Canonical SMILES: CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C
• InChI: InChI=1S/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
• InChI Key: DPMGLJUMNRDNMX-VXGBXAGGSA-N
• Complexity: 422
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 294.231g/mol
• H-Bond Acceptor: 4
• Heavy Atom Count: 21
• Monoisotopic Mass: 294.231g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 43.2A^2
• UNII: 2268A05V3V

Synthetic Use

Upstream Synthesis Route 1

• 132098-54-5
• 74-88-4

• 131833-93-7

Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 18, p. 5875 - 5878
[2] Advanced Synthesis and Catalysis, 2008, vol. 350, # 7-8, p. 1023 - 1045

Upstream Synthesis Route 2

• 7321-55-3
• 112245-13-3

• 131833-93-7

Reference: [1] Synlett, 2005, # 15, p. 2321 - 2324

Upstream Synthesis Route 3

• 141-43-5

• 131833-93-7

Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275

Upstream Synthesis Route 4

• 132098-54-5
• 74-88-4

• 131833-93-7

Reference: [1]Chemical Communications,2019,vol. 55,p. 3789 - 3792
[2]Journal of Organic Chemistry,2000,vol. 65,p. 5875 - 5878
[3]Advanced Synthesis and Catalysis,2008,vol. 350,p. 1023 - 1045

Upstream Synthesis Route 5

• 7321-55-3
• 112245-13-3

• 131833-93-7

Reference: [1]Synlett,2005,p. 2321 - 2324