p-Tolyl-N-fluoro-N-neopentylsulfonamide

Base Information

• Chemical Name: p-Tolyl-N-fluoro-N-neopentylsulfonamide
• CAS No.: 88303-17-7
• Molecular Formula: C12H18FNO2S
• Molecular Weight: 259.345
• DSSTox Substance ID: DTXSID00236948
• Nikkaji Number: J456.246A
• Wikidata: Q83119034
• Mol file: 88303-17-7.mol

Synonyms:p-Tolyl-N-fluoro-N-neopentylsulfonamide;88303-17-7;N-fluoro-N-neopentyl-p-toluenesulfonamide;SCHEMBL7930094;DTXSID00236948;COHNWDUZTLRGOG-UHFFFAOYSA-N;N-fluoro-N-neopentyl-p-toluene-sulfonamide

Chemical Property of p-Tolyl-N-fluoro-N-neopentylsulfonamide

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Boiling Point: 336.7°Cat760mmHg
• Flash Point: 157.4°C
• PSA: 45.76000
• Density: 1.146g/cm³
• LogP: 3.99710
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 259.10422815
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Tolyl-N-fluoro-N-neopentylsulfonamide

There total 1 articles about p-Tolyl-N-fluoro-N-neopentylsulfonamide 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: 57.0%

N-(2,2-dimethylpropyl)-4-methylbenzenesulphonamide (88303-23-5) → N-fluoro-N-2,2-dimethylpropyl-p-toluenesulfonamide (88303-17-7)

Guidance literature:

With fluorine; In chloroform; trichlorofluoromethane; at -78 ℃; for 4h;

DOI:10.1021/ja00314a050

Reference yield: 53.0%

N-fluoro-N-2,2-dimethylpropyl-p-toluenesulfonamide (88303-17-7) + Diethyl methylmalonate (609-08-5) → diethyl 2-methyl-2-fluoromalonate (16519-02-1,115899-98-4)

Guidance literature:

In tetrahydrofuran; toluene;

Reference yield:

1,3-Dihydro-3-methyl-1-phenyl-2H-pyrrolo[2,3-b]pyridin-2-one (127555-82-2) + N-fluoro-N-2,2-dimethylpropyl-p-toluenesulfonamide (88303-17-7) → 1,3-Dihydro-3-fluoro-3-methyl-1-phenyl-2H-pyrrolo [2,3-b]pyridin-2-one (127555-23-1)

Guidance literature:

With hydrogenchloride; NaH; In tetrahydrofuran; dichloromethane; water;

upstream raw materials:

N-(2,2-dimethylpropyl)-4-methylbenzenesulphonamide

Downstream raw materials:

tert-butyl 2-methyl-3-oxobutanoate

N-(2,2-dimethylpropyl)-4-methylbenzenesulphonamide

N-[(E)-2,2-dimethylpropylidene]-4-methylbenzenesulfonamide

1,3-Dihydro-3-fluoro-3-methyl-1-phenyl-2H-pyrrolo [2,3-b]pyridin-2-one