Benzenesulfonic acid, 5-amino-2-(phenylamino)-

Base Information

• Chemical Name: Benzenesulfonic acid, 5-amino-2-(phenylamino)-
• CAS No.: 91-30-5
• Molecular Formula: C12H12N2O3S
• Molecular Weight: 264.305
• Hs Code.: 2921590090
• European Community (EC) Number: 202-058-4,308-370-8,308-372-9
• NSC Number: 37076,15359
• UNII: 9YU7B7YH38
• DSSTox Substance ID: DTXSID6059021
• Nikkaji Number: J64.443I
• Wikidata: Q72436431
• ChEMBL ID: CHEMBL1398855
• Mol file: 91-30-5.mol

Synonyms:91-30-5;5-Amino-2-anilinobenzenesulfonic acid;5-Amino-2-(phenylamino)benzenesulfonic acid;Benzenesulfonic acid, 5-amino-2-(phenylamino)-;6-Anilinometanilic acid;4-Aminodiphenylamine-2-sulfonic acid;4-Amino-2-sulfodiphenylamine;4-Aminodiphenyamine-2-sulfonic acid;Metanilic acid, 6-anilino-;MLS000737782;5-Amino-2-anilinobenzenesulphonic acid;N-Phenyl-p-phenylenediaminesulfonic acid;Benzenesulfonic acid, 5-amino-2-anilino-;EINECS 202-058-4;NSC 15359;NSC-15359;4-amino-diphenylamine-2-sulphonic acid;SMR000273465;5-Amino-2-anilinebenzenesulphonic acid;5-amino-2-anilino-benzenesulfonic acid;5-amino-2-(phenylamino)benzene-1-sulfonic acid;cid_66671;4-Amino-2-sulphodiphenylamine;SCHEMBL343582;9YU7B7YH38;5-amino-2-anilino-besylic acid;CHEMBL1398855;DTXSID6059021;BDBM52843;5-amino-2-anilinobenzensulfonsyre;NSC15359;NSC37076;EINECS 308-370-8;EINECS 308-372-9;4-Aminodiphenylamine-2-sulfinic acid;NSC-37076;2-Anilino-5-aminobenzenesulfonic acid;4-Aminodiphenylamine-2-sulphonic acid;AKOS000668433;NCGC00245012-01;NCGC00245012-02;97952-76-6;97952-78-8;AC-12053;AS-66067;5-Amino-2-(phenylamino)benzenesulfonicacid;Benzenesulphonic acid, 5-amino-2-anilino-;2,4-Nitroamino Diphenylamine Sulphonic Acid;5-azanyl-2-phenylazanyl-benzenesulfonic acid;CS-0367057;FT-0617420;MLS000737782-02;D96101;Benzenesulphonic acid, 5-amino-2-(phenylamino)-;A843797;W-100311

Chemical Property of Benzenesulfonic acid, 5-amino-2-(phenylamino)-

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.69
• Boiling Point: 469.1℃[at 101 325 Pa]
• PKA: -1.27±0.45(Predicted)
• PSA: 100.80000
• Density: 1.464 g/cm³
• LogP: 3.99410
• Water Solubility.: 2.71g/L at 25℃
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 264.05686342
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

4-AMINODIPHENYLAMINE-2-SULFONIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O

Technology Process of Benzenesulfonic acid, 5-amino-2-(phenylamino)-

There total 6 articles about Benzenesulfonic acid, 5-amino-2-(phenylamino)- 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:

→ 4-aminodiphenylamine-2-sulfonic acid (91-30-5)

Guidance literature:

With water; zinc;

Reference yield:

p-nitrosodiphenylamine (156-10-5) → 4-aminodiphenylamine-2-sulfonic acid (91-30-5)

Guidance literature:

With sodium sulfite;

Reference yield:

2-anilino-5-nitro-benzenesulfonic acid (88-35-7) → 4-aminodiphenylamine-2-sulfonic acid (91-30-5)

Guidance literature:

With hydrogenchloride; iron;

upstream raw materials:

p-nitrosodiphenylamine

2-anilino-5-nitro-benzenesulfonic acid

aniline

Downstream raw materials:

N-phenylphenylene-1,4-diamine

sodium 1-amino-2-methyl-4-[4-phenylamino-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene

sodium 1-amino-4-[4-phenylamino-3-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

C₂₇H₂₁N₃O₅S

Refernces

Enantioselective total synthesis of ( - )-kibdelone C

10.1021/ja204040k

The research focuses on the enantioselective total synthesis of (-)-Kibdelone C, a naturally occurring compound with significant anticancer activity. The synthesis strategy involves the assembly of the AB-DEF-ring system from an isoquinolinone and a tetrahydroxanthone fragment, which are derived from simpler precursors through a series of chemical reactions. Key steps include a Shi epoxidation to establish stereochemistry, an acid-catalyzed cyclization to form the tetrahydroxanthone, and a C-H arylation to complete the hexacyclic skeleton. Reactants used in the synthesis include amino alcohol, benzoic acid, and various other organic compounds and reagents such as TEMPO, BCl3, and Sonogashira coupling partners. The synthesis process also involves the use of Swern oxidation, Dess-Martin oxidation, and other protective group manipulations. Analytical techniques employed to characterize the intermediates and final product include 1H and 13C NMR spectroscopy, HPLC/MS, and molecular weight determination, confirming the successful replication of (-)-Kibdelone C with optical rotation and spectroscopic data matching those of the natural product.

Efficient synthesis of some 3-arylisoquinolin-1(2H)-ones

10.1007/s10593-008-0140-3

The research aimed to efficiently synthesize a series of 3-arylisoquinolin-1(2H)-ones, which are nitrogen analogues of isocoumarins and are found in various bioactive natural products. These compounds have therapeutic value, exhibiting activities such as antidepressant, anti-inflammatory, and analgesic properties. The study focused on converting 3-substituted isocoumarins into their nitrogen analogues by refluxing with methanamide. The process was successful, yielding isoquinolin-1(2H)-ones in 76–85% yield and high purity. The chemicals used in this process included 3-substituted isocoumarins (1a-j) and methanamide, with the reaction progress monitored by TLC, and the products characterized by comparing their mp, IR, 1H NMR, and mass spectral data with those of the corresponding isocoumarins. The conclusion of the research was that a one-pot conversion of 3-substituted isocoumarins to the corresponding isoquinolones was achieved, demonstrating a synthetically feasible procedure for accessing these bioactive heterocycles.

A ligand-free Pd-catalyzed cascade reaction: An access to the highly diverse isoquinolin-1(2 H)-one derivatives via isocyanide and Ugi-MCR synthesized amide precursors

10.1021/ol301131s

The study presents a novel ligand-free palladium-catalyzed cascade reaction for synthesizing highly diverse isoquinolin-1(2H)-one derivatives. The process involves using isocyanides and amide precursors synthesized by Ugi-MCR. The researchers explored a variety of acids, amines, and isocyanides as starting materials for the Ugi-MCR, leading to diverse amide precursors. These precursors then underwent a Pd-catalyzed reaction involving isocyanide insertion and intramolecular cyclization, followed by a Mazurciewicz-Ganesan type sequence. The reaction conditions were optimized with Pd(OAc)? as the catalyst, Cs?CO? as the base, and DMF as the solvent, achieving moderate to good yields of the desired isoquinolin-1(2H)-one derivatives. The study highlights the potential for synthesizing a wide range of biologically active molecules using this method, offering a straightforward and atom-economical approach for combinatorial and medicinal chemistry.

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