2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone

Base Information

• Chemical Name: 2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone
• CAS No.: 444912-55-4
• Molecular Formula: C22H23IN2O
• Molecular Weight: 458.342
• UNII: 160N27WT0S
• Wikidata: Q27895654
• ChEMBL ID: CHEMBL2093080
• Mol file: 444912-55-4.mol

Synonyms:2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone;AM 2233;AM-2233;AM2233

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Chemical Property of 2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone

Chemical Property:

• Boiling Point: 571.0±30.0 °C(Predicted)
• PKA: 9.74±0.10(Predicted)
• PSA: 25.24000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 4.89910
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 458.08551
• Heavy Atom Count: 26
• Complexity: 499

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I
• Isomeric SMILES: CN1CCCC[C@@H]1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I

Technology Process of 2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone

There total 7 articles about 2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone 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: 95.0%

(R)-(+)-1-(1-methylpiperidin-2-ylmethyl)-1H-indole (868542-18-1) + 2-Iodobenzoyl chloride (609-67-6) → AM2233 (444912-55-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 40 ℃;

DOI:10.1021/jm050135l

Reference yield:

(R)-(+)-2-chloromethyl-1-methylpiperidine (868542-16-9) → AM2233 (444912-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 0.5 h / 20 °C

1.2: 61 percent / dimethylformamide / 60 - 70 °C

2.1: 95 percent / AlCl₃ / CH₂Cl₂ / 40 °C

With aluminium trichloride; sodium hydride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm050135l

Reference yield:

indole (120-72-9) → AM2233 (444912-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 0.5 h / 20 °C

1.2: 61 percent / dimethylformamide / 60 - 70 °C

2.1: 95 percent / AlCl₃ / CH₂Cl₂ / 40 °C

With aluminium trichloride; sodium hydride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm050135l

upstream raw materials:

(R)-(+)-1-(1-methylpiperidin-2-ylmethyl)-1H-indole

2-Iodobenzoyl chloride

(R)-(+)-2-chloromethyl-1-methylpiperidine

indole

Refernces