2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one

Base Information

• Chemical Name: 2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one
• CAS No.: 908227-87-2
• Molecular Formula: C₁₈H₂₃IN₂O
• Molecular Weight: 410.298
• European Community (EC) Number: 618-659-3
• DSSTox Substance ID: DTXSID101166446
• Mol file: 908227-87-2.mol

Synonyms:908227-87-2;2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one;starbld0005837;SCHEMBL3576963;SZGPQQRXOSCSGW-UHFFFAOYSA-N;DTXSID101166446;2-butyl-3-[(4-iodophenyl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one;2-butyl-3-(4'-iodobenzyl)-1,3-diazaspiro[4,4]non-1-en-4-one

Chemical Property of 2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 410.08551
• Heavy Atom Count: 22
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)I

Technology Process of 2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one

There total 3 articles about 2-Butyl-3-(4-iodobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-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: 70.0%

1-(pentanoylamino)cyclopentanecarboxamide (177219-40-8) + 1-bromomethyl-4-iodobenzene (16004-15-2) → 2-butyl-3-(4'-iodobenzyl)-1,3-diazaspiro[4,4]non-1-en-4-one (908227-87-2)

Guidance literature:

With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In water; toluene; at 25 - 70 ℃; for 3.5h; Product distribution / selectivity;

Reference yield: 42.0%

1-pentanoylamine-cyclopentanocarboxylic acid 4-iodobenzylamide (908117-90-8) → 2-butyl-3-(4'-iodobenzyl)-1,3-diazaspiro[4,4]non-1-en-4-one (908227-87-2)

Guidance literature:

at 250 ℃; for 2h; Product distribution / selectivity;

Reference yield: 39.0%

1-amino-cyclopentanocarboxylic acid 4-iodobenzylamide (908117-92-0) + trimethyl orthovalerate (13820-09-2) → 2-butyl-3-(4'-iodobenzyl)-1,3-diazaspiro[4,4]non-1-en-4-one (908227-87-2)

Guidance literature:

With acetic acid; In dichloromethane; at 90 ℃; for 0.75h; Product distribution / selectivity;

upstream raw materials:

1-amino-cyclopentanocarboxylic acid 4-iodobenzylamide

trimethyl orthovalerate

1-(pentanoylamino)cyclopentanecarboxamide

1-bromomethyl-4-iodobenzene