N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide

Base Information

• Chemical Name: N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide
• CAS No.: 54879-44-6
• Molecular Formula: C₁₈H₂₃NO₄S
• Molecular Weight: 349.451
• DSSTox Substance ID: DTXSID401165554
• Mol file: 54879-44-6.mol

Synonyms:SCHEMBL11497159;DTXSID401165554;N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide;54879-44-6

Chemical Property of N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 349.13477939
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(OC)OC

Technology Process of N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide

There total 5 articles about N-(2,2-Dimethoxyethyl)-4-methyl-N-(phenylmethyl)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: 100.0%

N-(2,2-dimethoxyethyl)-p-toluenesulfonamide (58754-95-3) + benzyl chloride (100-44-7) → N-benzyl-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (54879-44-6)

Guidance literature:

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

DOI:10.1016/S0040-4039(00)85404-0

Reference yield:

N-benzyl-2,2-dimethoxyethylamine (54879-88-8) + p-toluenesulfonyl chloride (98-59-9) → N-benzyl-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (54879-44-6)

Guidance literature:

With triethylamine; In methanol; at 0 - 20 ℃; for 5h;

DOI:10.1016/j.cclet.2019.09.023

Reference yield:

N-ethyl-4-methyl-benzenesulfonamide (80-39-7) → N-benzyl-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide (54879-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / KBr, KOH / anodic oxidation

2: 100 percent / NaH / dimethylformamide

With potassium hydroxide; sodium hydride; potassium bromide; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)85404-0

upstream raw materials:

N-(2,2-dimethoxyethyl)-p-toluenesulfonamide

benzyl chloride

N-ethyl-4-methyl-benzenesulfonamide

N-benzyl-2,2-dimethoxyethylamine

Downstream raw materials:

isoquinoline

2-tosyl-1,2,3,4-tetrahydroisoquinoline