N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide

Base Information

• Chemical Name: N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide
• CAS No.: 5918-68-3
• Molecular Formula: C20H17BrClNO4S2
• Molecular Weight: 187.265
• DSSTox Substance ID: DTXSID50362029
• Wikidata: Q82144729
• Mol file: 5918-68-3.mol

Synonyms:5918-68-3;N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide;N-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonamide;DTXSID50362029;EU-0067131;SR-01000391815;SR-01000391815-1;N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfonyl]-2,5-dimethylbenzenesulfonamide

Chemical Property of N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide

Chemical Property:

• Vapor Pressure: 8.31E-18mmHg at 25°C
• Melting Point: >360℃
• Boiling Point: 669.9°C at 760 mmHg
• Flash Point: 358.9°C
• PSA: 97.07000
• Density: 1.571g/cm³
• LogP: 7.58750
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 512.94709
• Heavy Atom Count: 29
• Complexity: 748

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Technology Process of N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide

There total 22 articles about N-(4-Bromophenyl)-3-(4-chlorobenzene-1-sulfonyl)-2,5-dimethylbenzene-1-sulfonamide 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: 99.0%

thiophene-2-carbaldehyde (98-03-3) + aniline (62-53-3) → N-thiophen-2-ylmethyleneaniline (5918-68-3,1191913-61-7)

Guidance literature:

With HC(CMeN(2,6-Et₂C₆H₃)₂₎Al(μ-S)₂AlHC(CMeN(2,6-Et₂C₆H₃))₂; In chloroform-d1; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.ica.2017.05.034

Reference yield: 96.0%

thiophen-2-yl magnesium bromide (5713-61-1) + ethyl N-phenylformimidate (6780-49-0) → N-thiophen-2-ylmethyleneaniline (5918-68-3,1191913-61-7)

Guidance literature:

In diethyl ether; at 23 ℃; for 1h;

DOI:10.1021/jo00287a028

Reference yield: 94.0%

2-thiophenemethanol (636-72-6) + aniline (62-53-3) → (E)-N-phenyl-1-(thiophen-2-yl)methanimine (5918-68-3,1191913-61-7)

Guidance literature:

With potassium tert-butylate; C₁₇H₁₉N₅; molybdenum hexacarbonyl; In toluene; at 20 ℃; for 24h; Catalytic behavior;

DOI:10.1016/j.mcat.2021.111415

upstream raw materials:

thiophene-2-carbaldehyde

aniline

thiophen-2-yl magnesium bromide

ethyl N-phenylformimidate

Downstream raw materials:

methyl 2,2-dimethyl-3-(N-phenylamino)-3-(2-thienyl)propionate

(2S,3R)-2-Methyl-3-phenylamino-3-thiophen-2-yl-propionic acid methyl ester

(2R,3R)-2-Methyl-3-phenylamino-3-thiophen-2-yl-propionic acid methyl ester

2-Methyl-3-phenylamino-2-phenylsulfanyl-3-thiophen-2-yl-propionic acid ethyl ester