N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
• CAS No.: 58754-95-3
• Molecular Formula: C11H17NO4S
• Molecular Weight: 259.326
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10397236
• Nikkaji Number: J1.147.745C
• Wikidata: Q82198410
• Mol file: 58754-95-3.mol

Synonyms:N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide;58754-95-3;MFCD00971347;N-(2,2-dimethoxyethyl)-4-methylbenzene-1-sulfonamide;UPCMLD00WCRH3-053;SCHEMBL5599840;DTXSID10397236;YSQNRFLBFRHJBP-UHFFFAOYSA-N;AC7733;AKOS003589604;N-tosyl aminoacetaldehyde-dimethylacetal;SB81547;SS-5210;SY019795;CS-0213276;FT-0743859;N-(2,2-Dimethoxyethyl)-p-toluenesulfonamide;A869373;N-(2,2-dimethoxy-ethyl)-4-methyl-benzenesulfonamide

Chemical Property of N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

Chemical Property:

• PSA: 73.01000
• LogP: 2.36390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 259.08782920
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

N-(2,2-Dimethoxyethyl)-4-methylbenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(OC)OC

Technology Process of N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

There total 2 articles about N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide 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%

p-toluenesulfonyl chloride (98-59-9) + 2,2-dimethoxyethylamine (22483-09-6) → N-(2,2-dimethoxyethyl)-p-toluenesulfonamide (58754-95-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jo00085a036

Reference yield: 59.0%

methanol (67-56-1) + N-ethyl-4-methyl-benzenesulfonamide (80-39-7) → N-(2,2-dimethoxyethyl)-p-toluenesulfonamide (58754-95-3)

Guidance literature:

With sodium methylate; potassium bromide; at 25 ℃; anodic oxidation;

Reference yield: 99.0%

N-(2,2-dimethoxyethyl)-p-toluenesulfonamide (58754-95-3) + allyl bromide (106-95-6) → N-(2,2-dimethoxyethyl)-4-methyl-N-(2-propenyl)benzenesulfonamide (155335-41-4)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; 1.) r.t., 30 min, 2.) 1 h;

DOI:10.1021/jo00085a036

upstream raw materials:

methanol

N-ethyl-4-methyl-benzenesulfonamide

p-toluenesulfonyl chloride

2,2-dimethoxyethylamine

Downstream raw materials:

N-(2,2-dimethoxyethyl)-N-<(3,4-methylenedioxyphenyl)methyl>-p-toluenesulfonamide

N-(3,4-dimethoxybenzyl)-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

N-(2'',2''-dimethoxyethyl)-4-methyl-N-(3''',4''',5'''-trimethoxyphenylmethyl)benzene sulfonamide

N-(3,5-Dimethoxy-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzenesulfonamide