Production Method 1

126261-84-5

21615-34-9

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 2

126261-84-5

4521-61-3

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 3

52710-27-7

90-14-2

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 4

126261-84-5

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 5

126261-84-5

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 6

126261-84-5

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 125 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 7

126261-84-5

129714-97-2

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 8

1711-09-7

126261-84-5

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 9

126261-84-5

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

Production Method 10

126261-84-5

7377-26-6

126261-84-5

879-18-5

Reaction Conditions

1.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C
2.1 Catalysts: Tris(dibenzylideneacetone)dipalladium ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Toluene ;  12 h, 100 °C

Reference

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides

Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

1-IODO-4-N-PROPYLBENZENE Raw materials

• 3-Bromobenzoyl chloride
• 1-IODO-4-N-PROPYLBENZENE
• 3,4,5-Trimethoxybenzoyl chloride
• 4-n-Propylbenzoyl chloride
• 2-Methoxybenzoyl chloride
• 4-(Chlorocarbonyl)benzoic Acid Methyl Ester
• 3,5-Difluorobenzoyl chloride
• 1-Iodonaphthalene

1-IODO-4-N-PROPYLBENZENE Preparation Products

• 1-IODO-4-N-PROPYLBENZENE (126261-84-5)
• 1-Naphthoyl chloride (879-18-5)

• 1. Excellent mechanical performance and enhanced dielectric properties of OBC/SiO2 elastomeric nanocomposites: effect of dispersion of the SiO2 nanoparticles?
  Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
• 2. Evolution of dealloying induced strain in nanoporous gold crystals?
  Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
• 3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?
  Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
• 4. Fe(ii)-Assisted one-pot synthesis of ultra-small core–shell Au–Pt nanoparticles as superior catalysts towards the HER and ORR?
  Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
• 5. Evidence of field induced slow magnetic relaxation in cis-[Co(hfac)2(H2O)2] exhibiting tri-axial anisotropy with a negative axial component?
  Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548

• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Phenylpropanes

Introduction to 1-IODO-4-N-PROPYLBENZENE (CAS No: 126261-84-5)

1-IODO-4-N-PROPYLBENZENE, with the chemical formula C?H?IO?, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and materials science research. This compound serves as a versatile intermediate in the synthesis of various biologically active molecules, making it a valuable tool for chemists and pharmacologists. Its unique structural features, particularly the presence of an iodine atom at the para position relative to a propyl group on a benzene ring, contribute to its reactivity and utility in synthetic chemistry.

The CAS No 126261-84-5 uniquely identifies this molecule in scientific literature and databases, ensuring precise referencing and communication among researchers. The iodinated aromatic system of 1-IODO-4-N-PROPYLBENZENE allows for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, which are pivotal in constructing complex molecular architectures. These reactions are widely employed in the development of novel therapeutic agents, including small-molecule inhibitors and drug candidates targeting various diseases.

Recent advancements in medicinal chemistry have highlighted the importance of iodinated benzenes as key building blocks in drug discovery. The electrophilic nature of the iodine atom in 1-IODO-4-N-PROPYLBENZENE facilitates its participation in palladium-catalyzed transformations, enabling the efficient construction of carbon-carbon bonds. Such transformations are crucial for generating diverse pharmacophores that exhibit improved metabolic stability and binding affinity to biological targets. For instance, studies have demonstrated its utility in synthesizing kinase inhibitors, which are critical in treating cancers and inflammatory disorders.

The propyl substituent at the ortho position relative to the iodine atom introduces steric and electronic effects that can modulate the reactivity and selectivity of subsequent chemical modifications. This feature makes 1-IODO-4-N-PROPYLBENZENE a preferred choice for medicinal chemists seeking to fine-tune the properties of their lead compounds. Additionally, the compound’s solubility profile and thermal stability make it suitable for both laboratory-scale synthesis and large-scale production processes.

In materials science, 1-IODO-4-N-PROPYLBENZENE has been explored for its potential applications in organic electronics. The iodine atom can serve as an anchor point for π-conjugated systems, enhancing charge transport properties in organic semiconductors and light-emitting diodes (OLEDs). Researchers have investigated its incorporation into polymer backbones to improve charge mobility, which is essential for next-generation electronic devices. The ability to functionalize the benzene ring further allows for tuning optical and electronic characteristics, making this compound a promising candidate for advanced material design.

The synthesis of 1-IODO-4-N-PROPYLBENZENE typically involves halogenation reactions on a corresponding benzene derivative, followed by selective alkylation to introduce the propyl group. Recent methodological improvements have focused on optimizing these steps to achieve higher yields and purities while minimizing side reactions. Catalytic systems employing transition metals have been particularly effective in enhancing reaction efficiencies, aligning with green chemistry principles that emphasize sustainability and environmental responsibility.

Industrial applications of 1-IODO-4-N-PROPYLBENZENE extend beyond pharmaceuticals and materials science. Its role as an intermediate in fine chemical synthesis underscores its versatility across multiple sectors. For example, agrochemical companies utilize similar iodinated aromatic compounds to develop novel pesticides with enhanced efficacy and reduced environmental impact. The compound’s reactivity also makes it valuable in specialty chemical manufacturing, where precise molecular modifications are required for high-performance applications.

As research continues to evolve, the demand for high-quality intermediates like 1-IODO-4-N-PROPYLBENZENE is expected to grow. Collaborative efforts between academia and industry are driving innovations in synthetic methodologies, ensuring that researchers have access to increasingly sophisticated tools for molecular construction. The integration of computational chemistry into drug discovery pipelines further enhances the utility of such intermediates by predicting reaction outcomes and optimizing synthetic routes before experimental validation.

In conclusion, 1-IODO-4-N-PROPYLBENZENE (CAS No: 126261-84-5) represents a cornerstone compound in modern chemical research. Its unique structural attributes enable diverse applications across pharmaceuticals, materials science, and specialty chemicals, making it an indispensable resource for scientists worldwide. As new methodologies emerge and interdisciplinary collaborations deepen, the significance of this compound is poised to expand further, contributing to breakthroughs that improve human health and technological capabilities.

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