N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

Base Information

• Chemical Name: N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide
• CAS No.: 88131-54-8
• Molecular Formula: C13H20FNO4S
• Molecular Weight: 305.371
• DSSTox Substance ID: DTXSID20530197
• Wikidata: Q82401182
• Mol file: 88131-54-8.mol

Synonyms:88131-54-8;DTXSID20530197;N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

Chemical Property of N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 305.10970745
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CN(C1=CC=CC=C1F)S(=O)(=O)C)OCC

Technology Process of N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide

There total 2 articles about N-(2,2-Diethoxyethyl)-N-(2-fluorophenyl)methanesulfonamide 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: 82.0%

N-(2-fluorophenyl)methanesulfonamide (98611-90-6) + Bromoacetaldehyde diethyl acetal (2032-35-1) → N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide (88131-54-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1021/jo00176a007

Reference yield:

2-Fluoroaniline (348-54-9) → N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide (88131-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 1) 1 h, 0 deg C; 2) 1 h, 25 deg C

2: 82 percent / NaH / dimethylformamide / 110 °C

With pyridine; sodium hydride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo00176a007

Reference yield: 40.0%

N-(2,2-Diethoxy-ethyl)-N-(2-fluoro-phenyl)-methanesulfonamide (88131-54-8) → N-(2-fluorophenyl)methanesulfonamide (98611-90-6)

Guidance literature:

With titanium tetrachloride; In chlorobenzene; at 132 ℃; Product distribution;

DOI:10.1021/jo00176a007

upstream raw materials:

N-(2-fluorophenyl)methanesulfonamide

Bromoacetaldehyde diethyl acetal

2-Fluoroaniline

Downstream raw materials:

N-(2-fluorophenyl)methanesulfonamide