1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-

Base Information

• Chemical Name: 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-
• CAS No.: 444912-57-6
• Molecular Formula: C₂₂H₂₃IN₂O
• Molecular Weight: 458.342
• UNII: 9K67K5T7JE
• ChEMBL ID: CHEMBL1788276
• Wikidata: Q27272659

Synonyms:9K67K5T7JE;UNII-9K67K5T7JE;CHEMBL1788276;1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-;444912-57-6;(S)-(-)-1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole;Methanone, (2-iodophenyl)(1-(((2S)-1-methyl-2-piperidinyl)methyl)-1H-indol-3-yl)-;BDBM50370681;Q27272659;(S)-1-((N-methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole

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Chemical Property of 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-

Chemical Property:

• 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:

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 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-

There total 3 articles about 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)- 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:

1-(1-methylpiperidin-2-ylmethyl)-1H-indole (137641-68-0) → (2-iodo-phenyl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone (444912-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / AlCl₃ / CH₂Cl₂ / 40 °C

2: chiral HPLC

With aluminium trichloride; In dichloromethane;

DOI:10.1021/jm050135l

Reference yield:

2-Iodobenzoyl chloride (609-67-6) → (2-iodo-phenyl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone (444912-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / AlCl₃ / CH₂Cl₂ / 40 °C

2: chiral HPLC

With aluminium trichloride; In dichloromethane;

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:

(2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanone

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

2-Iodobenzoyl chloride