N,N-Bis(2-aminoethyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N,N-Bis(2-aminoethyl)-4-methylbenzenesulfonamide
• CAS No.: 23539-15-3
• Molecular Formula: C11H19N3O2S
• Molecular Weight: 257.35200
• DSSTox Substance ID: DTXSID00441499
• Nikkaji Number: J3.297.391D
• Wikidata: Q82258284
• Mol file: 23539-15-3.mol

Synonyms:23539-15-3;N,N-Bis(2-aminoethyl)-4-methylbenzenesulfonamide;Benzenesulfonamide, N,N-bis(2-aminoethyl)-4-methyl-;SCHEMBL8634136;DTXSID00441499

Chemical Property of N,N-Bis(2-aminoethyl)-4-methylbenzenesulfonamide

Chemical Property:

• PSA: 97.80000
• LogP: 2.38450
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 257.11979803
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCN)CCN

Technology Process of N,N-Bis(2-aminoethyl)-4-methylbenzenesulfonamide

There total 11 articles about N,N-Bis(2-aminoethyl)-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: 96.0%

N,N-bis(2-(1,3-dioxoisoindolin-2-yl)ethyl)-4-methylbenzenesulfonamide (23538-91-2) → N,N-bis(2-aminoethyl)-4-methyl-benzenesulfonamide (23539-15-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 24h; Heating;

DOI:10.1021/jo00016a018

Reference yield: 92.0%

C21H35N3O6S (1531604-66-6) → N,N-bis(2-aminoethyl)-4-methyl-benzenesulfonamide (23539-15-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 25 ℃; for 16h;

DOI:10.1021/ic4026987

Reference yield: 66.0%

N,N-bis-(2-azidoethyl)-4-methyl-benzenesulfonamide (154875-27-1) → N,N-bis(2-aminoethyl)-4-methyl-benzenesulfonamide (23539-15-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 10 ℃; for 0.5h;

DOI:10.1021/jo00082a019

upstream raw materials:

N,N-bis(2-(1,3-dioxoisoindolin-2-yl)ethyl)-4-methylbenzenesulfonamide

N,N-bis-(2-azidoethyl)-4-methyl-benzenesulfonamide

N,N-Bis-cyanomethyl-4-methyl-benzenesulfonamide

p-toluenesulfonyl chloride

Downstream raw materials:

N-(p-Toluolsulfonyl)-bis-(2-guanidino-ethyl)-amin

N,N''-bis(diethoxyphosphoryl)-N'-tosyldiethylenetriamine

C₅₂H₅₄N₆O₄S₂

3,9,17,23-Tetramethyl-6,20-bis-(toluene-4-sulfonyl)-3,6,9,17,20,23-hexaaza-tricyclo[23.3.1.1^11,15]triaconta-1⁽²⁸⁾,11,13,15⁽³⁰⁾,25⁽²⁹⁾,26-hexaene