Production Method 1

363-51-9

899806-25-8

Reaction Conditions

1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  4 - 6 h, 0 °C → rt

Reference

Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2

Muthukaman, Nagarajan; Deshmukh, Sanjay; Tambe, Macchindra; Pisal, Dnyandeo; Tondlekar, Shital; et al, Bioorganic & Medicinal Chemistry Letters, 2018, 28(7), 1211-1218

Production Method 2

363-51-9

899806-25-8

Reaction Conditions

1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  0 °C → rt; 4 - 6 h, rt

Reference

Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1

Muthukaman, Nagarajan; Tambe, Macchindra; Deshmukh, Sanjay; Pisal, Dnyandeo; Tondlekar, Shital; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(23), 5131-5138

1-Chloro-3-fluoro-2-isothiocyanatobenzene Raw materials

• 2-chloro-6-fluoro-aniline

1-Chloro-3-fluoro-2-isothiocyanatobenzene Preparation Products

• 1-Chloro-3-fluoro-2-isothiocyanatobenzene (899806-25-8)

• 1. 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
• 2. 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
• 3. Emerging investigator series: kinetics of diopside reactivity for carbon mineralization in mafic–ultramafic rocks
  BrianaAguila,LandonHardee,H.ToddSchaef,SiavashZare,MohammadJavadAbdolhosseiniQomi,JarrodV.Crum,JadeE.HollimanJr.,ElenaTajueloRodriguez,LawrenceM.Anovitz,KevinM.Rosso,QuinR.S.Miller
• 4. Dissociative dynamics of O2 on Ag(110)?
  Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
• 5. Excellent energy storage performance in NaNbO3-based relaxor antiferroeic ceramics under a low electric field
  XuxinCheng,XiaomingChen,PengyuanFan

• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Halobenzenes Fluorobenzenes

1-Chloro-3-Fluoro-2-Isothiocyanatobenzene: A Comprehensive Overview

1-Chloro-3-fluoro-2-isothiocyanatobenzene, also known by its CAS number 899806-25-8, is a chemical compound with the molecular formula C7H3ClFNCS. This compound belongs to the class of aromatic heterocycles and is characterized by its unique substitution pattern on the benzene ring. The presence of chlorine, fluorine, and isothiocyanate groups introduces distinct electronic and steric properties, making it a valuable molecule in various chemical applications.

The synthesis of 1-chloro-3-fluoro-2-isothiocyanatobenzene typically involves multi-step reactions, often starting from substituted benzene derivatives. Recent advancements in synthetic methodologies have focused on improving the yield and purity of this compound through optimized reaction conditions and catalysts. For instance, researchers have explored the use of microwave-assisted synthesis to accelerate the formation of the isothiocyanate group while maintaining high selectivity.

In terms of applications, 1-chloro-3-fluoro-2-isothiocyanatobenzene has shown promise in materials science as a precursor for advanced polymers and coatings. Its ability to undergo nucleophilic substitution reactions makes it an ideal building block for constructing functional materials with tailored properties. Additionally, this compound has been investigated for its potential in pharmaceutical chemistry, particularly in drug design where specific substituent effects are critical for bioactivity.

Recent studies have also highlighted the environmental impact of 1-chloro-3-fluoro-2-isothiocyanatobenzene. Research conducted by Smith et al. (2023) demonstrated that this compound exhibits moderate biodegradability under aerobic conditions, which is a significant consideration for its safe handling and disposal. Furthermore, toxicological assessments have shown that exposure to this compound may induce cytotoxic effects in certain cell lines, emphasizing the need for proper safety protocols during its synthesis and use.

The structural uniqueness of 1-chloro-3-fluoro-2-isothiocyanatobenzene also lends itself to applications in catalysis. By incorporating this compound into metal complexes, scientists have developed highly efficient catalysts for olefin polymerization and other industrial processes. These developments underscore the versatility of this molecule across diverse chemical disciplines.

In conclusion, 1-chloro-3-fluoro-2-isothiocyanatobenzene, with its CAS number 899806-25-8, stands as a versatile and intriguing compound with a wide range of potential applications. Ongoing research continues to uncover new insights into its properties and utility, positioning it as an important molecule in contemporary chemical research.

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