3-Benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

Base Information

• Chemical Name: 3-Benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
• CAS No.: 32896-96-1
• Molecular Formula: C₂₀H₁₆N₂O
• Molecular Weight: 300.36
• European Community (EC) Number: 651-704-5

Synonyms:3-benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile;32896-96-1;Oprea1_489918;SCHEMBL5969520;STL321758;AKOS022132392;3-benzoyl-1,2,3,10b-tetrahydro-pyrrolo(2,1-a)isoquinoline-1-carbonitrile;3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

Chemical Property of 3-Benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 300.126263138
• Heavy Atom Count: 23
• Complexity: 539

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C2C3=CC=CC=C3C=CN2C1C(=O)C4=CC=CC=C4)C#N

Technology Process of 3-Benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

There total 2 articles about 3-Benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile 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:

2-phenacylisoquinolinium bromide (25131-60-6) + acrylonitrile (107-13-1,25014-41-9) → (1S,3R,10bR)-3-Benzoyl-1,2,3,10b-tetrahydro-pyrrolo[2,1-a]isoquinoline-1-carbonitrile (32896-96-1,104760-24-9)

Guidance literature:

With triethylamine; In chloroform; for 0.25h; Ambient temperature;

DOI:10.1021/jo00263a030

Reference yield:

→ 3-benzoyl-1,2,3,10b-tetrahydro-pyrrolo[2,1-a]isoquinoline-1-carbonitrile (32896-96-1)

Guidance literature:

N-Phenacyl-isochinoliniumbromid, Acrylnitril;

Reference yield:

(1S,3R,10bR)-3-Benzoyl-1,2,3,10b-tetrahydro-pyrrolo[2,1-a]isoquinoline-1-carbonitrile (32896-96-1,104760-24-9) + acrylonitrile (107-13-1,25014-41-9) → (1S,2aR,4aR,9bR)-2a-Benzoyl-1,2,2a,3,4,4a,5,9b-octahydro-pyrrolizino[3,4,5-ab]isoquinoline-1,4-dicarbonitrile (118355-92-3) + (1S,2aS,4aS,9bR)-2a-Benzoyl-1,2,2a,3,4,4a,5,9b-octahydro-pyrrolizino[3,4,5-ab]isoquinoline-1,3-dicarbonitrile (118355-91-2)

Guidance literature:

In toluene; for 29h; Yield given. Yields of byproduct given; Heating;

DOI:10.1021/jo00263a030

upstream raw materials:

2-phenacylisoquinolinium bromide

acrylonitrile

Downstream raw materials:

(1S,2aR,4aR,9bR)-2a-Benzoyl-1,2,2a,3,4,4a,5,9b-octahydro-pyrrolizino[3,4,5-ab]isoquinoline-1,4-dicarbonitrile

(1S,2aS,4aS,9bR)-2a-Benzoyl-1,2,2a,3,4,4a,5,9b-octahydro-pyrrolizino[3,4,5-ab]isoquinoline-1,3-dicarbonitrile

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