trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone

Base Information

• Chemical Name: trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone
• CAS No.: 112853-75-5
• Molecular Formula: C₁₉H₂₄N₂O
• Molecular Weight: 296.412

Synonyms:2-Butanone, 4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-;4a,11a-trans-2-gamma-Ketobutyl-1,2,3,4,4a,5,11,11a-octahydro-6H-pyrido(4,3-b)carbazole;trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone;112853-75-5;LS-46855

Chemical Property of trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone

Chemical Property:

• Vapor Pressure: 1.73E-09mmHg at 25°C
• Boiling Point: 483.1°C at 760 mmHg
• Flash Point: 246°C
• PSA: 36.10000
• Density: 1.142g/cm³
• LogP: 3.12160
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 296.188863393
• Heavy Atom Count: 22
• Complexity: 424

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCN1CCC2CC3=C(CC2C1)C4=CC=CC=C4N3
• Isomeric SMILES: CC(=O)CCN1CC[C@H]2CC3=C(C[C@@H]2C1)C4=CC=CC=C4N3

Technology Process of trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone

There total 2 articles about trans-4-(1,3,4,4a,5,6,11,11a-Octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-2-butanone 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: 82.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 4a,11a-trans-2H-1,2,3,4,4a,5,11,11a-Octahydro-6H-pyrido<4,3-b>carbazole → 4a,11a-trans-2-γ-(Ketobutyl)-1,2,3,4,4a,5,11,11a-octahydro-6H-pyrido<4,3-b>carbazole (112853-75-5)

Guidance literature:

In N,N-dimethyl-formamide; for 6h;

Reference yield:

4a,11a-trans-2-Benzoyl-1,2,3,4,4a,5,11,11a-octahydro-6H-pyrido<4,3-b>carbazole → 4a,11a-trans-2-γ-(Ketobutyl)-1,2,3,4,4a,5,11,11a-octahydro-6H-pyrido<4,3-b>carbazole (112853-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / 50percent aq. KOH / ethanol; dioxane / 48 h / Heating

2: 82 percent / dimethylformamide / 6 h

With potassium hydroxide; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

methyl vinyl ketone

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