(3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile

Base Information

• Chemical Name: (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile
• CAS No.: 73528-50-4
• Molecular Formula: C₁₆H₁₄N₂O
• Molecular Weight: 250.3
• Mol file: 73528-50-4.mol

Synonyms:(3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile

Chemical Property of (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile

There total 4 articles about (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile 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: 6.0%

3-(p-cyanophenyl)-2-isoxazoline (73528-49-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → terephthalonitrile (623-26-7) + 3-amino-3-(p-cyanophenyl)-2-propenal (88226-22-6) + 4-(2,5-Dihydro-oxazol-4-yl)-benzonitrile (73528-52-6) + (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile (73528-50-4)

Guidance literature:

at 15 - 20 ℃; for 3h; Irradiation;

DOI:10.1016/S0040-4020(01)92385-3

Reference yield: 1.6%

3-(p-cyanophenyl)-2-isoxazoline (73528-49-1) → 3-amino-3-(p-cyanophenyl)-2-propenal (88226-22-6) + 4-(2,5-Dihydro-oxazol-4-yl)-benzonitrile (73528-52-6) + (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile (73528-50-4)

Guidance literature:

In benzene; at 15 - 20 ℃; for 4h; Product distribution; Irradiation; investigations at different irradiation times;

DOI:10.1016/S0040-4020(01)92385-3

Reference yield:

4-cyanobenzaldehyde oxime (52707-54-7,52707-59-2,64847-77-4) → (3aS,3bR,7aS)-4-(2,3,3b,7a-Tetrahydro-1-oxa-7b-aza-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl)-benzonitrile (73528-50-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Cl₂(gas) / CHCl₃

2: 92 percent

3: 3.8 percent / 3 h / 15 - 20 °C / Irradiation

With chlorine; In chloroform;

DOI:10.1016/S0040-4020(01)92385-3

upstream raw materials:

3-(p-cyanophenyl)-2-isoxazoline

benzene

4-cyanobenzaldehyde oxime

(Z)-4-cyano-N-hydroxybenzimidoyl chloride

Downstream raw materials:

C₂₀H₁₆N₂O₄

terephthalonitrile

3-amino-3-(p-cyanophenyl)-2-propenal

4-(2,5-Dihydro-oxazol-4-yl)-benzonitrile