N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

Base Information

• Chemical Name: N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide
• CAS No.: 917096-84-5
• Molecular Formula: C9H11F3N2O2S
• Molecular Weight: 268.26
• Hs Code.: 2935009090
• European Community (EC) Number: 693-289-3
• DSSTox Substance ID: DTXSID10656219
• Nikkaji Number: J2.378.862D
• Wikidata: Q82570770
• Mol file: 917096-84-5.mol

Synonyms:N-(2-AMINOETHYL)-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE;917096-84-5;SCHEMBL17115760;DTXSID10656219;HOVKSPHQQLXZON-UHFFFAOYSA-N;AKOS009631942;N-(2-Aminoethyl)-4-(trifluoromethyl)benzene-1-sulfonamide;N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide, 97%

Chemical Property of N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

Chemical Property:

• Melting Point: 111-115°C
• PSA: 80.57000
• LogP: 3.11440
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 268.04933326
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCN
• Uses: N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide can be used as a ligand to synthesize half-sandwich Rh(III) complex, which is employed as a catalyst for the reduction of NAD+ to NADH by transfer hydrogenation using sodium formate as a hydride source. It is also used to form pentamethylcyclopentadienyl iridium (Cp*Ir)-diamine catalyst for selective transfer hydrogenation of various quinoxalines to synthesize corresponding tetrahydroquinxalines.

Technology Process of N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

There total 2 articles about N-(2-Aminoethyl)-4-(trifluoromethyl)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: 92.0%

4-trifluorophenylsulfonyl chloride (2991-42-6) + ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (917096-84-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1021/acs.inorgchem.0c02098

Reference yield:

C17H17F3N2O4S → N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (917096-84-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.3390/ijms221910491

Reference yield: 85.0%

N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (917096-84-5) + 5-(2-(methylsulfonyl)pyrimidin-4-yl)-6-(3-nitrophenyl)imidazo[2,1-b]thiazole → N-(2-((4-(6-(3-nitrophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-yl)amino)ethyl)-4-(trifluoromethyl)benzenesulfonamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 90 ℃;

DOI:10.1016/j.bioorg.2020.103967

upstream raw materials:

4-trifluorophenylsulfonyl chloride

ethylenediamine

Downstream raw materials:

[(η⁶-benzene)Ru(N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide(1-))Cl]

[(η⁶-hexamethylbenzene)Ru(N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide(1-))Cl]