4-Iododexetimide

Base Information

• Chemical Name: 4-Iododexetimide
• CAS No.: 119478-57-8
• Molecular Formula: C₂₃H₂₅IN₂O₂*ClH
• Molecular Weight: 524.829
• UNII: X1QQA2O0IW
• Nikkaji Number: J567.077B
• Mol file: 119478-57-8.mol

Synonyms:4-(125I)iododexetimide;4-iododexetimide;4-iododexetimide, 123I-labeled;4-iododexetimide, 125I-labeled;4-iodolevetimide;4-iodolevetimide, 125I-labeled

Chemical Property of 4-Iododexetimide

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 488.09608
• Heavy Atom Count: 28
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I
• Isomeric SMILES: C1CN(CCC1[C@@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I

Technology Process of 4-Iododexetimide

There total 3 articles about 4-Iododexetimide 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: 89.0%

1-bromomethyl-4-iodobenzene (16004-15-2) + (S)-(+)-3-Phenyl-3-(4-piperidinyl)-2,6-piperidinedione (115216-87-0) → (S)-3-Phenyl-3-<1-<(4-iodophenyl)methyl>-4-piperidinyl>-2,6-piperidinedione hydrochloride (119478-57-8)

Guidance literature:

With hydrogenchloride; potassium carbonate; 1) EtOH, reflux, 3 h, 2) Et₂O;

DOI:10.1021/jm00125a021

Reference yield:

[125I]-Dexetimide (21888-98-2) → (S)-3-Phenyl-3-<1-<(4-iodophenyl)methyl>-4-piperidinyl>-2,6-piperidinedione hydrochloride (119478-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / H₂, conc. aq. HCl / 5percent Pd/C / methanol / 72 h / 3102.9 Torr / Ambient temperature

2: 89 percent / 1) K₂CO₃, 2) HCl / 1) EtOH, reflux, 3 h, 2) Et₂O

With hydrogenchloride; hydrogen; potassium carbonate; palladium on activated charcoal; In methanol;

DOI:10.1021/jm00125a021

Reference yield:

4-tolyl iodide (624-31-7) → (S)-3-Phenyl-3-<1-<(4-iodophenyl)methyl>-4-piperidinyl>-2,6-piperidinedione hydrochloride (119478-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 49.7 percent / N-bromosuccinimide, benzoyl peroxide / CCl₄ / 3.5 h / Heating

2: 89 percent / 1) K₂CO₃, 2) HCl / 1) EtOH, reflux, 3 h, 2) Et₂O

With hydrogenchloride; N-Bromosuccinimide; Perbenzoic acid; potassium carbonate; In tetrachloromethane;

DOI:10.1021/jm00125a021

upstream raw materials:

1-bromomethyl-4-iodobenzene

(S)-(+)-3-Phenyl-3-(4-piperidinyl)-2,6-piperidinedione

4-tolyl iodide

[125I]-Dexetimide

Refernces