N,N-diethylcyclopropanesulfonamide

Base Information

• Chemical Name: N,N-diethylcyclopropanesulfonamide
• CAS No.: 146475-53-8
• Molecular Formula: C₇H₁₅NO₂S
• Molecular Weight: 177.268
• DSSTox Substance ID: DTXSID50438157
• Wikidata: Q72469261
• Mol file: 146475-53-8.mol

Synonyms:146475-53-8;N,N-diethylcyclopropanesulfonamide;N,N-Diethyl Cyclopropanesulfonamide;Cyclopropanesulfonamide, N,N-diethyl-;N,N-DIETHYL-CYCLOPROPANESULFONAMIDE;SCHEMBL13264275;DTXSID50438157;AKOS013917734;FT-0720047

Chemical Property of N,N-diethylcyclopropanesulfonamide

Chemical Property:

• Vapor Pressure: 0.0154mmHg at 25°C
• Boiling Point: 256.4°C at 760 mmHg
• PKA: -3.71±0.70(Predicted)
• Flash Point: 108.9°C
• PSA: 45.76000
• Density: 1.15g/cm³
• LogP: 1.90120
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 177.08234989
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-Diethyl-cyclopropanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1CC1

Technology Process of N,N-diethylcyclopropanesulfonamide

There total 3 articles about N,N-diethylcyclopropanesulfonamide 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: 75.0%

N,N-diethyl-3-chloropropanesulfonamide (146475-50-5) → N,N-diethylcyclopropanesulfonamide (146475-53-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane;

DOI:10.1021/jo00057a027

Reference yield: 8.3%

cyclopropanesulfonyl-1-d chloride (146475-62-9) + isopropyl alcohol (67-63-0,8013-70-5) → propan-2-yl cyclopropanesulfonate (146475-51-6) + N,N-diethylcyclopropanesulfonamide (146475-53-8)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 8h;

DOI:10.1021/jo00057a027

Reference yield:

cyclopropanesulfonyl chloride (139631-62-2) + isopropyl alcohol (67-63-0,8013-70-5) → propan-2-yl cyclopropanesulfonate (146475-51-6) + N,N-diethylcyclopropanesulfonamide (146475-53-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Rate constant;

DOI:10.1021/jo00057a027

upstream raw materials:

N,N-diethyl-3-chloropropanesulfonamide

cyclopropanesulfonyl chloride

isopropyl alcohol

cyclopropanesulfonyl-1-d chloride