5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one

Base Information

• Chemical Name: 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one
• CAS No.: 1053242-59-3
• Molecular Formula: C₂₆H₂₀F₁₂N₂O
• Molecular Weight: 604.438
• Mol file: 1053242-59-3.mol

Synonyms:5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one

Chemical Property of 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one

There total 2 articles about 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.1^3,7]decan-6-one 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: 56.0%

1,5-bis[3,5-bis(trifluoromethyl)phenyl]-3-pentanone (1053242-56-0) + hexamethylenetetramine (100-97-0) → 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (1053242-59-3)

Guidance literature:

With acetic acid; In ethanol; for 3h; Heating;

DOI:10.1021/jo801423a

Reference yield:

3,5-bis(trifluoromethyl)benzenemethanol (32707-89-4) → 5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (1053242-59-3)

Guidance literature:

Multi-step reaction with 2 steps

1: bis(1,5-cyclooctadiene)diiridium(I) dichloride; triphenylphosphine; potassium hydroxide / 100 °C

2: acetic acid / ethanol / 15 h / Reflux

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; acetic acid; triphenylphosphine; potassium hydroxide; In ethanol; 2: |Mannich Aminomethylation;

DOI:10.2174/15734064113099900002

Reference yield: 94.0%

5,7-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (1053242-59-3) + Allyl chloroformate (2937-50-0) → 1,5-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,7-bis[(2-propenyloxy)carbonyl]-3,7-diazabicyclo[3.3.1]nonan-9-one

Guidance literature:

In chloroform; at 20 ℃; for 120h;

DOI:10.1021/jo801423a

upstream raw materials:

1,5-bis[3,5-bis(trifluoromethyl)phenyl]-3-pentanone

hexamethylenetetramine

3,5-bis(trifluoromethyl)benzenemethanol

Downstream raw materials:

5,7-bis[(3,5-bis(trifluoromethyl)phenyl)methyl]-1,3-diaza-2-thia-tricyclo[3.3.1.1^3,7]decan-6-one 2,2-dioxide

5,7-bis[(3,5-bis(trifluoromethyl)phenyl)methyl]-2-chloro-1,3-diaza-2-phospha-tricyclo[3.3.1.1^3,7]decane-6-one2-oxide

C₃₃H₂₈F₁₂N₂O₅