(+)-iso-6-Cassine

Base Information

• Chemical Name: (+)-iso-6-Cassine
• CAS No.: 64474-08-4
• Molecular Formula: C₁₈H₃₅NO₂
• Molecular Weight: 297.481
• Mol file: 64474-08-4.mol

Synonyms:2-Dodecanone,12-(5-hydroxy-6-methyl-2-piperidinyl)-, [2R-(2a,5b,6b)]-; (+)-6-Isocassine; 6-Isocassine;Isocassine

Chemical Property of (+)-iso-6-Cassine

Chemical Property:

• Boiling Point: 424.8±25.0 °C(Predicted)
• PKA: 14.93±0.60(Predicted)
• PSA: 49.33000
• Density: 0.931±0.06 g/cm3(Predicted)
• LogP: 4.30660

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (+)-iso-6-Cassine

There total 25 articles about (+)-iso-6-Cassine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

16-hydroxy-17-nitro-octadecane-2,13-dione (57689-15-3) → 12-((2R,6S)-5-Hydroxy-6-methyl-piperidin-2-yl)-dodecan-2-one (5227-24-7,57760-16-4,57760-17-5,57760-18-6,64474-08-4,94306-54-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 12h; under 2280 Torr; Yield given; Ambient temperature;

Reference yield:

undec-10-yn-1-ol (2774-84-7) → 3 β epi-3 cassine (5227-24-7,57760-16-4,57760-17-5,57760-18-6,64474-08-4,94306-54-4)

Guidance literature:

Multi-step reaction with 8 steps

1: 90 percent / 70percent H₂SO₄, HgSO₄ / methanol / 5 h / Heating

2: 58 percent / PBr₃, 66percent HBr / benzene / 24 h / Heating

3: 38.8 g / Na, NaI / ethanol / 14 h / Heating

4: 90 percent / baryte hydrate / H₂O / 24 h / Heating

5: 1.) O₃, 2.) Zn,AcOH / 1.) CH₂Cl₂, 12 min, -78 deg C 2.) r.t

6: 85 percent / Na / ethanol; tetrahydrofuran / 12 h / Ambient temperature

7: H₂ / Pd/C / ethanol / 12 h / 2280 Torr / Ambient temperature

8: benzene

With barium sulfate; Zn,AcOH; sulfuric acid; hydrogen bromide; hydrogen; sodium; phosphorus tribromide; ozone; mercury(II) sulfate; sodium iodide; zinc; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; water; benzene;

Reference yield:

undec-10-yn-1-ol (2774-84-7) → 12-((2R,6S)-5-Hydroxy-6-methyl-piperidin-2-yl)-dodecan-2-one (5227-24-7,57760-16-4,57760-17-5,57760-18-6,64474-08-4,94306-54-4)

Guidance literature:

Multi-step reaction with 7 steps

1: 90 percent / 70percent H₂SO₄, HgSO₄ / methanol / 5 h / Heating

2: 58 percent / PBr₃, 66percent HBr / benzene / 24 h / Heating

3: 38.8 g / Na, NaI / ethanol / 14 h / Heating

4: 90 percent / baryte hydrate / H₂O / 24 h / Heating

5: 1.) O₃, 2.) Zn,AcOH / 1.) CH₂Cl₂, 12 min, -78 deg C 2.) r.t

6: 85 percent / Na / ethanol; tetrahydrofuran / 12 h / Ambient temperature

7: H₂ / Pd/C / ethanol / 12 h / 2280 Torr / Ambient temperature

With barium sulfate; Zn,AcOH; sulfuric acid; hydrogen bromide; hydrogen; sodium; phosphorus tribromide; ozone; mercury(II) sulfate; sodium iodide; zinc; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; water; benzene;

upstream raw materials:

12-((2R,6S)-5-Hydroxy-6-methyl-piperidin-2-yl)-dodecan-2-one

undec-10-yn-1-ol

10-Undecen-1-ol

11-bromoundecan-2-one

Downstream raw materials:

3 β epi-3 cassine