p-Toluenesulfonic acid, isopropylidenehydrazide

Base Information

• Chemical Name: p-Toluenesulfonic acid, isopropylidenehydrazide
• CAS No.: 3900-79-6
• Molecular Formula: C10H14 N2 O2 S
• Molecular Weight: 226.299
• Hs Code.: 2935009090
• NSC Number: 126963,101352,234742
• DSSTox Substance ID: DTXSID90295347
• Nikkaji Number: J104.669A
• Mol file: 3900-79-6.mol

Synonyms:3900-79-6;p-Toluenesulfonic acid, isopropylidenehydrazide;Acetone p-tosylhydrazone;Acetone tolylsulfonylhydrazone;4-methyl-N-(propan-2-ylideneamino)benzenesulfonamide;4-methyl-N'-(propan-2-ylidene)benzenesulfonohydrazide;p-toluenesulfonyl acetone hydrazone;Toluenesulfonic acid isopropylidenehydrazide;Benzenesulfonic acid, (1-methylethylidene)hydrazide;acetone tosylhydrazone;NCIOpen2_007020;SCHEMBL6634591;4-Methyl-N'-(1-methylethylidene)benzenesulfonohydrazide;4-methyl-N'-(propan-2-ylidene)benzene-1-sulfonohydrazide;DTXSID90295347;XJXJLURHJAVZJI-UHFFFAOYSA-N;Benzenesulfonic acid, 4-methyl-, (1-methylethylidene)hydrazide;MFCD00554278;NSC101352;NSC126963;NSC234742;STK083319;AKOS003854312;CCG-245420;NSC-101352;NSC-126963;NSC-234742;E89480;N-(isopropylideneamino)-4-methyl-benzenesulfonamide;4-Methyl-N'-(1-methylethylidene)benzenesulfonohydrazide #

Chemical Property of p-Toluenesulfonic acid, isopropylidenehydrazide

Chemical Property:

• Melting Point: 159-160 °C
• Boiling Point: 350.1°Cat760mmHg
• PKA: 10.48±0.40(Predicted)
• Flash Point: 165.5°C
• PSA: 66.91000
• Density: 1.17g/cm³
• LogP: 3.14080
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 318

Purity/Quality:

99.9% ^*data from raw suppliers

4-Methyl-N'-(propan-2-ylidene)benzenesulfonohydrazide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C

Technology Process of p-Toluenesulfonic acid, isopropylidenehydrazide

There total 10 articles about p-Toluenesulfonic acid, isopropylidenehydrazide 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: 100.0%

N′,N′-dibenzyl-4-methylbenzenesulfonohydrazide (7626-72-4) → toluene-4-sulfonic acid isopropylidenehydrazide (3900-79-6)

Guidance literature:

With 20 % Pd(OH)2/C; hydrogen; In acetone; at 25 ℃; for 16h;

DOI:10.1039/c2ob07034k

Reference yield: 99.5%

toluene-4-sulfonic acid hydrazide (1576-35-8) + acetone (67-64-1) → toluene-4-sulfonic acid isopropylidenehydrazide (3900-79-6)

Guidance literature:

In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol5011714

Reference yield:

Dimethyl-α-acetylmethylphosphonat-tosylhydrazon (71265-00-4) → toluene-4-sulfonic acid isopropylidenehydrazide (3900-79-6)

Guidance literature:

With sodium hydride; In diethylene glycol dimethyl ether;

DOI:10.1021/jo01335a018

upstream raw materials:

Dimethyl-α-acetylmethylphosphonat-tosylhydrazon

toluene-4-sulfonic acid hydrazide

2,2-dimethoxy-propane

acetone

Downstream raw materials:

2-methylpent-4-en-2-ol

2-<2-(p-tolylsulfonyl)hydrazino>propane

toluene-4-sulfonamide

N-benzyl-N'-(propan-2'-ylidene)-4-methylbenzenesulfonohydrazide

Refernces

• 1、 Saccoccia, Fulvio,Brindisi, Margherita,Gimmelli, Roberto,Relitti, Nicola,Guidi, Alessandra,Saraswati, A Prasanth,Cavella, Caterina,Brogi, Simone,Chemi, Giulia,Butini, Stefania,Papoff, Giuliana,Senger, Johanna,Herp, Daniel,Jung, Manfred,Campiani, Giuseppe,Gemma, Sandra,Ruberti, Giovina. "Screening and Phenotypical Characterization of Schistosoma mansoni Histone Deacetylase 8 (SmHDAC8) Inhibitors as Multistage Antischistosomal Agents". . p. 100 - 113. Retrieved 2019/11/20.
• 2、 Baell, Jonathan B.,Feng, Jiajun,He, Tiantong,Huang, Fei,Xie, Yuxing,Yu, Yang. "I2-Promoted [4 + 2] cycloaddition of: In situ generated azoalkenes with enaminones: Facile and efficient synthesis of 1,4-dihydropyridazines and pyridazines". supporting information. p. 9483 - 9493. Retrieved 2020/12/15.