2-Fluoro-4-methylbenzene-1-sulfonamide

Base Information

• Chemical Name: 2-Fluoro-4-methylbenzene-1-sulfonamide
• CAS No.: 199590-69-7
• Molecular Formula: C7H8FNO2S
• Molecular Weight: 189.21
• Hs Code.: 2935909099
• European Community (EC) Number: 887-068-2
• DSSTox Substance ID: DTXSID40598390
• Wikidata: Q82494140
• Mol file: 199590-69-7.mol

Synonyms:199590-69-7;2-Fluoro-4-methylbenzenesulfonamide;2-fluoro-4-methylbenzene-1-sulfonamide;BENZENESULFONAMIDE, 2-FLUORO-4-METHYL-;Benzenesulfonamide, 2-fluoro-4-methyl- (9CI);SCHEMBL2777772;DTXSID40598390;UXERBLNJMNMILD-UHFFFAOYSA-N;GS0298;AKOS009345338;FS-2119;2-Fluoro-4-methyl-1 benzenesulfonamide;2-Fluoro-4-methyl-1-benzenesulfonamide;DB-274171;CS-0265107;EN300-96519;Z385450566

Chemical Property of 2-Fluoro-4-methylbenzene-1-sulfonamide

Chemical Property:

• Boiling Point: 324.4±52.0 °C(Predicted)
• PKA: 9.82±0.60(Predicted)
• PSA: 68.54000
• Density: 1.362±0.06 g/cm3(Predicted)
• LogP: 2.56260
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.02597783
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N)F

Technology Process of 2-Fluoro-4-methylbenzene-1-sulfonamide

There total 3 articles about 2-Fluoro-4-methylbenzene-1-sulfonamide 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: 100.0%

2-fluoro-4-methylbenzene-1-sulfonyl chloride (518070-29-6) → 2-fluoro-4-methylbenzene-1-sulfonamide (199590-69-7)

Guidance literature:

at 20 ℃; for 4h;

Reference yield: 37.0%

2-fluoro-4-methylaniline (452-80-2) → 2-fluoro-4-methylbenzene-1-sulfonamide (199590-69-7)

Guidance literature:

2-fluoro-4-methylaniline; With hydrogenchloride; sodium nitrite; In water; acetic acid; at -5 ℃; Cooling;

With sulfur dioxide; copper dichloride; In water; acetic acid; at -5 ℃; for 0.25h; Cooling;

With ammonium hydroxide; In 1,4-dioxane; water; for 0.5h; Reagent/catalyst; Cooling;

DOI:10.1021/acs.jmedchem.8b00250

Reference yield:

→ 2-fluoro-4-methylbenzene-1-sulfonamide (199590-69-7)

Guidance literature:

upstream raw materials:

2-fluoro-4-methylaniline

2-fluoro-4-methylbenzene-1-sulfonyl chloride

Downstream raw materials:

2-(cyclopropylamino)-4-methylbenzenesulfonamide