3-(Trifluoromethyl)pyridine-2-sulfonyl chloride

Base Information

• Chemical Name: 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride
• CAS No.: 104040-75-7
• Molecular Formula: C6H3ClF3NO2S
• Molecular Weight: 245.6067
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID50552367
• Wikidata: Q82432565
• Mol file: 104040-75-7.mol

Synonyms:3-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYL CHLORIDE;104040-75-7;3-(trifluoromethyl) pyridine-2-sulfonyl chloride;3-(trifluoromethyl) pyridine-2-sulfonyl chloride;3-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYLCHLORIDE;F2147-1668;SCHEMBL6917349;DTXSID50552367;XIEXICQWCSLBBZ-UHFFFAOYSA-N;GS2902;AKOS010996719;AS-41033;CS-0440148;EN300-150895

Chemical Property of 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride

Chemical Property:

• PSA: 55.41000
• LogP: 3.10870
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 244.9525117
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethyl)pyridine-2-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)S(=O)(=O)Cl)C(F)(F)F
• Use Description: 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride is a chemical compound with specific applications in various fields. In the pharmaceutical industry, it serves as a valuable reagent for the synthesis of pharmaceutical compounds, playing a crucial role in drug development and manufacturing processes. Its trifluoromethyl group can enhance the pharmacological properties of drug candidates. In the field of organic chemistry, it acts as a versatile building block for the creation of complex organic molecules, facilitating the development of new materials, catalysts, and specialty chemicals. Additionally, in academic research, 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride is used as a reference material and a substrate for studying reaction mechanisms, enabling advancements in synthetic chemistry and chemical research. Its multifaceted contributions underscore its significance in pharmaceuticals, chemical research, and academia, driving progress and innovation in these diverse fields.

Technology Process of 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride

There total 2 articles about 3-(Trifluoromethyl)pyridine-2-sulfonyl chloride 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: 81.0%

3-trifluoromethyl-2-mercaptopyridine (104040-74-6) → 3-trifluoromethylpyridine-2-sulfonyl chloride (104040-75-7)

Guidance literature:

With hydrogenchloride; water; chlorine; at -10 ℃;

Reference yield:

2-chloro-3-trifluoromethyl-pyridine (65753-47-1) → 3-trifluoromethylpyridine-2-sulfonyl chloride (104040-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; thiourea / water / 10 h / Reflux

2: chlorine; water; hydrogenchloride / -10 °C

With hydrogenchloride; water; chlorine; acetic acid; thiourea; In water;

Reference yield: 86.0%

3-trifluoromethylpyridine-2-sulfonyl chloride (104040-75-7) → 3-(trifluoromethyl)-2-pyridinesulfonamide (104040-76-8)

Guidance literature:

With ammonium hydroxide; In 1,2-dichloro-ethane; at -5 - 5 ℃; for 1.5h;

upstream raw materials:

2-chloro-3-trifluoromethyl-pyridine

3-trifluoromethyl-2-mercaptopyridine

Downstream raw materials:

3-(trifluoromethyl)-2-pyridinesulfonamide

Refernces