N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide

Base Information

• Chemical Name: N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide
• CAS No.: 74810-23-4
• Molecular Formula: C₁₇H₂₁NO₂S
• Molecular Weight: 303.425
• DSSTox Substance ID: DTXSID601345170
• Nikkaji Number: J143.989H
• Mol file: 74810-23-4.mol

Synonyms:74810-23-4;N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide;N,4-dimethyl-N-[(2S)-1-phenylpropan-2-yl]benzenesulfonamide;DTXSID601345170;(S)-Methamphetamine p-toluenesulfonamide;PD064227

Chemical Property of N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide

Chemical Property:

• PSA: 45.76000
• LogP: 4.32750
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.12930009
• Heavy Atom Count: 21
• Complexity: 401

Purity/Quality:

99% ^*data from raw suppliers

(S)-Methamphetamine p-toluenesulfonamide ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)CC2=CC=CC=C2
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@@H](C)CC2=CC=CC=C2

Technology Process of N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide

There total 2 articles about N,4-Dimethyl-N-[(S)-alpha-methylphenethyl]benzenesulfonamide 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-Methyl-N-tolyl-p-sulphonylamphetamin (34542-10-4,74810-23-4)

Guidance literature:

Reference yield: 40.0%

dimethylsulfide (75-18-3) + 1-(1,4-cyclohexadien-1-yl)-N-methyl-N-tosyl-2-propanamine (748157-07-5) → N-methyl-4-oxo-N-tosyl-2-propanamine + N-methyl-1-phenyl-N-tosyl-2-propanamine (74810-23-4)

Guidance literature:

1-(1,4-cyclohexadien-1-yl)-N-methyl-N-tosyl-2-propanamine; With sodium hydrogencarbonate; ozone; In dichloromethane; at -70 ℃;

dimethylsulfide; In dichloromethane; at 20 ℃;

DOI:10.1021/jo049726u

upstream raw materials:

dimethylsulfide

1-(1,4-cyclohexadien-1-yl)-N-methyl-N-tosyl-2-propanamine