N-cyclopentyl-2-iodobenzamide

Base Information

• Chemical Name: N-cyclopentyl-2-iodobenzamide
• CAS No.: 331435-49-5
• Molecular Formula: C₁₂H₁₄INO
• Molecular Weight: 315.154
• DSSTox Substance ID: DTXSID401307940
• Mol file: 331435-49-5.mol

Synonyms:N-cyclopentyl-2-iodobenzamide;331435-49-5;SCHEMBL19748733;N~1~-cyclopentyl-2-iodobenzamide;DTXSID401307940;STL259992;AKOS003244803;BS-32285;CS-0213390;AO-548/10420024

Chemical Property of N-cyclopentyl-2-iodobenzamide

Chemical Property:

• Boiling Point: 409.5±28.0 °C(Predicted)
• PKA: 13.94±0.20(Predicted)
• Density: 1.61±0.1 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 315.01201
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

N-Cyclopentyl-2-iodobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C1)NC(=O)C2=CC=CC=C2I

Technology Process of N-cyclopentyl-2-iodobenzamide

There total 1 articles about N-cyclopentyl-2-iodobenzamide 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:

2-Iodobenzoic acid (88-67-5) → N-cyclopentyl-2-iodobenzamide (331435-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / Reflux

2: triethylamine / dichloromethane / 1 h / 20 °C

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1016/j.tet.2019.01.023

Reference yield:

N-cyclopentyl-2-iodobenzamide (331435-49-5) + phenylacetylene (536-74-3) → C20H19NO

Guidance literature:

N-cyclopentyl-2-iodobenzamide; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In 1,2-dichloro-ethane; at 20 ℃; for 0.333333h; Inert atmosphere;

phenylacetylene; In 1,2-dichloro-ethane; at 70 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d1ob00953b

Reference yield:

N-cyclopentyl-2-iodobenzamide (331435-49-5) → (Z)-N-((E)-3-(bromo(phenyl)methylene)isobenzofuran-1(3H)-ylidene)cyclopentanamine

Guidance literature:

Multi-step reaction with 2 steps

1.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 1,2-dichloro-ethane / 0.33 h / 20 °C / Inert atmosphere

1.2: 4 h / 70 °C / Inert atmosphere

2.1: lithium perchlorate; sodium bromide / acetonitrile / 5 h / 20 °C / Electrochemical reaction

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; lithium perchlorate; triethylamine; sodium bromide; In 1,2-dichloro-ethane; acetonitrile;

DOI:10.1039/d1ob00953b

upstream raw materials:

2-Iodobenzoic acid

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