Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide

Base Information

• Chemical Name: Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide
• CAS No.: 18708-54-8
• Molecular Formula: C13H13 N3 O2 S
• Molecular Weight: 275.331
• Hs Code.: 2935009090
• NSC Number: 243013
• ChEMBL ID: CHEMBL441034
• Mol file: 18708-54-8.mol

Synonyms:NSC243013;CHEMBL441034;AKOS000979638;NSC-243013;Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide

Chemical Property of Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide

Chemical Property:

• Vapor Pressure: 1.9E-08mmHg at 25°C
• Boiling Point: 454.5°Cat760mmHg
• Flash Point: 228.6°C
• PSA: 79.80000
• Density: 1.26g/cm³
• LogP: 3.17410
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 275.07284784
• Heavy Atom Count: 19
• Complexity: 389

Purity/Quality:

98% ^*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)NN=CC2=CC=NC=C2
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=NC=C2

Technology Process of Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide

There total 2 articles about Benzenesulfonic acid, (4-pyridinylmethylene)hydrazide 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: 78.0%

pyridine-4-carbaldehyde (872-85-5) + toluene-4-sulfonic acid hydrazide (1576-35-8) → N′-(pyridin-4-yl-benzylidene)-4-methylbenzenesulfonohydrazide (18708-54-8)

Guidance literature:

In ethanol; at 23 ℃;

DOI:10.1021/acs.joc.9b02088

Reference yield:

→ N′-(pyridin-4-yl-benzylidene)-4-methylbenzenesulfonohydrazide (18708-54-8)

Guidance literature:

Tosylhydrazin, Pyr-4-aldehyd 1c;

Reference yield: 90.0%

N′-(pyridin-4-yl-benzylidene)-4-methylbenzenesulfonohydrazide (18708-54-8) + (E)-3-(benzylamino)-3-(thiomethyl)-1-phenylprop-2-ene-1-thione → N-benzyl-5-phenyl-2-(pyridin-4-yl)thiophen-3-amine

Guidance literature:

With lithium tert-butoxide; In 1,4-dioxane; at 110 ℃; for 3h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201801028

upstream raw materials:

pyridine-4-carbaldehyde

toluene-4-sulfonic acid hydrazide

Downstream raw materials:

(1E,2E)-1,2-bis(pyridin-4-ylmethylene)hydrazine

4-(4-methylphenylsulfonylmethyl)pyridine

4-pyridine

4-((1R,2R)-2-phenylcyclopropyl)pyridine