(2-Iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone

Base Information

• Chemical Name: (2-Iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone
• CAS No.: 444912-75-8
• Molecular Formula: C22H23IN2O
• Molecular Weight: 458.342
• Hs Code.: 2933990090
• European Community (EC) Number: 806-351-3
• UNII: Z489688DK3
• DSSTox Substance ID: DTXSID401014171
• Nikkaji Number: J2.986.741K
• Wikipedia: AM-2233
• Wikidata: Q4652488
• ChEMBL ID: CHEMBL364266
• Mol file: 444912-75-8.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-yl)methyl)-1H-indol-3-yl)methanone

Chemical Property:

• Boiling Point: 571.01 °C at 760 mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 299.136 °C
• PSA: 25.24000
• Density: 1.487 g/cm³
• 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

Technology Process of (2-Iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone

There total 1 articles about (2-Iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-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: 93.0%

1-(1-methylpiperidin-2-ylmethyl)-1H-indole (137641-68-0) + 2-Iodobenzoyl chloride (609-67-6) → (2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanone (444912-75-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 40 ℃;

DOI:10.1021/jm050135l

Reference yield:

(2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanone (444912-75-8) → [131I]2-iodophenyl-[1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl]methanone

Guidance literature:

(2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanone; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; bis(tri-n-butyltin); In toluene; at 120 ℃; for 18h;

With hydrogenchloride; [¹³¹I]-sodium iodide; chloroamine-T; In ethanol; for 0.0833333h;

DOI:10.1021/jm050135l

Reference yield:

(2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanone (444912-75-8) → (2-iodo-phenyl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone (444912-57-6)

Guidance literature:

chiral HPLC;

DOI:10.1021/jm050135l

upstream raw materials:

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

2-Iodobenzoyl chloride

Downstream raw materials:

(2-iodo-phenyl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone

Refernces