4-((4-Chlorophenyl)sulfonyl)aniline

Base Information

• Chemical Name: 4-((4-Chlorophenyl)sulfonyl)aniline
• CAS No.: 7146-68-1
• Molecular Formula: C12H10 Cl N O2 S
• Molecular Weight: 267.736
• NSC Number: 51990,23812
• DSSTox Substance ID: DTXSID80282009
• Nikkaji Number: J409.581B
• Wikidata: Q82016164
• ChEMBL ID: CHEMBL140629
• Mol file: 7146-68-1.mol

Synonyms:4-((4-Chlorophenyl)sulfonyl)aniline;7146-68-1;4-(4-chlorophenyl)sulfonylaniline;4-(4-Chloro-benzenesulfonyl)phenylamine;4-(4-chlorophenylsulfonyl)aniline;4-[(4-chlorophenyl)sulfonyl]aniline;MFCD00025350;p-(p-Chlorophenylsulfonyl)aniline;4-Amino-4'-chlorodiphenyl Sulfone;NSC51990;NSC 23812;NSC 51990;4-(4-Chloro-benzenesulfonyl)-phenylamine;Oprea1_077504;Oprea1_673411;MLS000526083;CHEMBL140629;SCHEMBL2762404;4-Amino-4-chlorodiphenylsulfone;4-Amino-4'-chlorodiphenylsulfone;DTXSID80282009;4-(p-Chlorophenylsulfonyl)aniline;HMS2477K23;NSC23812;NSC-23812;NSC-51990;STL217853;4-(4-chloro-benzenesulfonyl)-aniline;AKOS000520507;4-(4-Chlorobenzene-1-sulfonyl)aniline;AM86174;CCG-111775;DS-6901;SMR000116557;CS-0157421;A866434;SR-01000491580;SR-01000491580-1

Chemical Property of 4-((4-Chlorophenyl)sulfonyl)aniline

Chemical Property:

• Vapor Pressure: 7.09E-09mmHg at 25°C
• Boiling Point: 466.4°C at 760 mmHg
• Flash Point: 235.9°C
• PSA: 68.54000
• Density: 1.394g/cm³
• LogP: 4.41700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.0120774
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

≥95% ^*data from raw suppliers

4-Amino-4''-chlorodiphenylSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)Cl
• Uses: 4-Amino-4'-chlorodiphenyl sulfone is a substituted 4-aminodiphenylsulfone as Escherichia coli dihydropteroate synthase inhibitor.

Technology Process of 4-((4-Chlorophenyl)sulfonyl)aniline

There total 11 articles about 4-((4-Chlorophenyl)sulfonyl)aniline 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: 90.0%

1-chloro-4-((4-nitrophenyl)sulfonyl)benzene (39055-84-0) → 4-(4-chloro-benzenesulfonyl)-aniline (7146-68-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2021.128007

Reference yield: 87.0%

acetic acid-[4-(4-chloro-benzenesulfonyl)-anilide] (6630-10-0) → 4-(4-chloro-benzenesulfonyl)-aniline (7146-68-1)

Guidance literature:

With hydrogenchloride; In ethanol; water; Reflux;

Reference yield: 73.5%

4,4'-dichlorodiphenyl sulphone (80-07-9,30605-10-8,85228-26-8,36313-66-3) → 4-(4-chloro-benzenesulfonyl)-aniline (7146-68-1) + dapsone (80-08-0)

Guidance literature:

With para-dinitrobenzene; ammonium hydroxide; In water; at 250 ℃; for 3h; autoclave;

upstream raw materials:

4,4'-dichlorodiphenyl sulphone

1-chloro-4-((4-nitrophenyl)sulfonyl)benzene

acetic acid-[4-(4-chloro-benzenesulfonyl)-anilide]

[4-(4-chloro-benzenesulfonyl)-phenyl]-carbamic acid ethyl ester

Downstream raw materials:

[4-(4-chloro-benzenesulfonyl)-phenyl]-carbamic acid phenyl ester

4-(4-Chlorphenylsulfonyl)-trifluormethansulfonanilid

4'-Chlor-4-(3-propyl-ureido)-diphenylsulfon

Refernces

• 1、 -. "ARYL-AND HETEROARYL-SUBSTITUTED BENZENE DERIVATIVES AS MODULATORS OF PI3-KINASE SIGNALLING PATHWAYS". Paragraph 0191. . Retrieved 2014/03/21.