(2,4-difluorophenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (2,4-difluorophenyl)methanesulfonyl Chloride
• CAS No.: 179524-68-6
• Molecular Formula: C7H5ClF2O2S
• Molecular Weight: 226.62800
• Hs Code.: 2904909090
• European Community (EC) Number: 803-228-6
• DSSTox Substance ID: DTXSID60375781
• Wikidata: Q82164464
• Mol file: 179524-68-6.mol

Synonyms:(2,4-difluorophenyl)methanesulfonyl Chloride;179524-68-6;2,4-Difluorobenzylsulfonyl chloride;BENZENEMETHANESULFONYL CHLORIDE, 2,4-DIFLUORO-;(2,4-DIFLUOROPHENYL)METHANESULPHONYL CHLORIDE;SCHEMBL1972231;DTXSID60375781;2,4-difluorobenzylsulfonylchloride;JCBYCKNOGYFRDS-UHFFFAOYSA-N;GEO-01062;MFCD06798046;AKOS005257560;AB29772;PS-10884;(2,4-difluorophenyl)methanesulfonylChloride;CS-0448493;EN300-122933;(2,4-Difluorophenyl)methanesulfonyl chloride, AldrichCPR

Chemical Property of (2,4-difluorophenyl)methanesulfonyl Chloride

Chemical Property:

• Melting Point: 40-41oC
• PSA: 42.52000
• LogP: 3.11420
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 225.9666846
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

(2,4-Difluorophenyl)methanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)CS(=O)(=O)Cl

Technology Process of (2,4-difluorophenyl)methanesulfonyl Chloride

There total 2 articles about (2,4-difluorophenyl)methanesulfonyl 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:

2,4-difluorobenzyl chloride (452-07-3) → (2,4-difluorophenyl)methanesulfonyl chloride (179524-68-6)

Guidance literature:

2,4-difluorobenzyl chloride; With thiourea; In ethanol; at 96 ℃;

With hydrogenchloride; In water; acetonitrile; at 0 ℃; for 0.25h;

With N-chloro-succinimide; In water; acetonitrile; at 20 ℃;

DOI:10.1002/anie.201701579

Reference yield:

(2,4-difluorophenyl)methyl isothiourea hydrochloride (1211527-75-1) → (2,4-difluorophenyl)methanesulfonyl chloride (179524-68-6)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 - 20 ℃; for 0.333333h;

DOI:10.1021/acs.jmedchem.8b01971

Reference yield: 67.0%

(2,4-difluorophenyl)methanesulfonyl chloride (179524-68-6) + (S)-tert-butyl 3-((4-(2-((5-amino-6-fluoro-2-methylnaphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate → (S)-tert-butyl 3-((4-(2-((5-((2,4-difluorophenyl)methylsulfonamido)-6-fluoro-2-methylnaphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate

Guidance literature:

With pyridine; dmap; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; for 16h;

upstream raw materials:

2,4-difluorobenzyl chloride

(2,4-difluorophenyl)methyl isothiourea hydrochloride

Downstream raw materials:

C₁₇H₁₃F₂N₃O₃S