CID 15114758

Base Information

• Chemical Name: CID 15114758
• CAS No.: 132213-87-7
• Molecular Weight: 385.58
• Nikkaji Number: J448.814H
• Mol file: 132213-87-7.mol

Synonyms:132213-87-7;4-[[(6aR)-6abeta,7,10,10aalpha-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl]oxy]-1-butanam;4-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]butan-1-amine;PDSP2_000215

Chemical Property of CID 15114758

Chemical Property:

• Boiling Point: 486.3±45.0 °C(Predicted)
• PKA: 10.22±0.10(Predicted)
• Density: 0.992±0.06 g/cm3(Predicted)
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 385.298079487
• Heavy Atom Count: 28
• Complexity: 515

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)OCCCCN
• Isomeric SMILES: CCCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OCCCCN

Technology Process of CID 15114758

There total 2 articles about CID 15114758 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: 52.0%

(-)-1-O-(4-phthalimidobutyl)-Δ8-tetrahydrocannabinol (137008-65-2) → (-)-1-O-(4-aminobutyl)-Δ8-tetrahydrocannabinol (132213-87-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating;

DOI:10.1021/jm00115a023

Reference yield:

delta-8-tetrahydrocannabinol (5957-75-5) → (-)-1-O-(4-aminobutyl)-Δ8-tetrahydrocannabinol (132213-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / K₂CO₃, NaI / acetone / 120 h / Heating

2: 52 percent / H₂N₄*H₂O / ethanol / 5 h / Heating

With potassium carbonate; hydrazine hydrate; sodium iodide; In ethanol; acetone;

DOI:10.1021/jm00115a023

upstream raw materials:

(-)-1-O-(4-phthalimidobutyl)-Δ⁸-tetrahydrocannabinol

delta-8-tetrahydrocannabinol

Refernces