2-[N-(benzenesulfonyl)-3-fluoro-2,4,6-trimethylanilino]acetic acid

Base Information

• Chemical Name: 2-[N-(benzenesulfonyl)-3-fluoro-2,4,6-trimethylanilino]acetic acid
• CAS No.: 853-31-6
• Molecular Formula: C₁₇H₁₈FNO₄S
• Molecular Weight: 351.399
• NSC Number: 156770
• DSSTox Substance ID: DTXSID701005789
• Wikidata: Q83001309
• Mol file: 853-31-6.mol

Synonyms:853-31-6;NSC156770;DTXSID701005789;NSC-156770;N-(Benzenesulfonyl)-N-(3-fluoro-2,4,6-trimethylphenyl)glycine

Chemical Property of 2-[N-(benzenesulfonyl)-3-fluoro-2,4,6-trimethylanilino]acetic acid

Chemical Property:

• Vapor Pressure: 1.67E-12mmHg at 25°C
• Boiling Point: 540.2°Cat760mmHg
• Flash Point: 280.5°C
• Density: 1.345g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 351.09405739
• Heavy Atom Count: 24
• Complexity: 541

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C)F)C

Technology Process of 2-[N-(benzenesulfonyl)-3-fluoro-2,4,6-trimethylanilino]acetic acid

There total 2 articles about 2-[N-(benzenesulfonyl)-3-fluoro-2,4,6-trimethylanilino]acetic acid 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:

N-benzenesulfonyl-N-(3-fluoro-2,4,6-trimethyl-phenyl)-glycine methyl ester (434-79-7) → N-benzenesulfonyl-N-(3-fluoro-2,4,6-trimethyl-phenyl)-glycine (853-31-6)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01577a052

Reference yield:

benzenesulfonic acid-(3-fluoro-2,4,6-trimethyl-anilide) (845-35-2) → N-benzenesulfonyl-N-(3-fluoro-2,4,6-trimethyl-phenyl)-glycine (853-31-6)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous H₂SO₄; acetic acid

With sulfuric acid; acetic acid;

DOI:10.1021/ja01577a052

upstream raw materials:

N-benzenesulfonyl-N-(3-fluoro-2,4,6-trimethyl-phenyl)-glycine methyl ester

benzenesulfonic acid-(3-fluoro-2,4,6-trimethyl-anilide)

Refernces

Supramolecular aggregates of azobenzene phospholipids and related compounds in bilayer assemblies and other microheterogeneous media: Structure, properties, and photoreactivity

10.1021/ja971291n

The study focuses on the synthesis and investigation of azobenzene phospholipids (APLs) in aqueous dispersions, both in pure form and when mixed with saturated and unsaturated phospholipids. The research explores the structures of the assemblies formed by these APLs, which include various forms such as large plates, and their ability to form "H" aggregates with typical aggregation numbers being multiples of three. The study utilizes techniques like microcalorimetry, dynamic light scattering, cryo-transmission electron microscopy, and reagent entrapment to analyze the assemblies. It also examines the photoreactivity of the azobenzenes, which can photoisomerize to produce cis-rich photostationary states. Interestingly, the cis-azobenzenes do not aggregate and can be reverted back to the trans form through irradiation or thermal means. The research further explores the controlled release of entrapped reagents from vesicles formed by mixed aqueous dispersions of trans-APLs with other phospholipids, demonstrating that photoisomerization can induce reagent release. The study provides insights into how aggregation influences the microstructure and macroscopic properties of the assemblies, with potential applications in drug delivery and other areas requiring photoresponsive materials.