2,4,6-Trimethylbenzenesulfonohydrazide

Base Information

• Chemical Name: 2,4,6-Trimethylbenzenesulfonohydrazide
• CAS No.: 16182-15-3
• Molecular Formula: C9H14N2O2S
• Molecular Weight: 214.288
• Hs Code.: 29350090
• European Community (EC) Number: 240-319-4
• NSC Number: 158041
• DSSTox Substance ID: DTXSID10167254
• Nikkaji Number: J144.316J
• Wikidata: Q72513927
• Mol file: 16182-15-3.mol

Synonyms:16182-15-3;2,4,6-Trimethylbenzenesulfonohydrazide;2,4,6-Trimethylbenzenesulfonyl hydrazide;2-Mesitylenesulfonyl Hydrazide;Mesitylene-2-sulphonohydrazide;Benzenesulfonic acid, 2,4,6-trimethyl-, hydrazide;2-Mesitylenesulfono hydrazide;EINECS 240-319-4;2,4,6-trimethylbenzene-1-sulfonohydrazide;2-Mesitylenesulfonohydrazide;Benzenesulfonic acid,2,4,6-trimethyl-, hydrazide;NSC158041;mesitylenesulphonohydrazide;Mesitylenesulfonylhydrazide;2-Mesitylehesulfono hydrazide;SCHEMBL422151;JQUBKTQDNVZHIY-UHFFFAOYSA-;DTXSID10167254;BBL014043;MFCD00007585;STK411728;AKOS000291439;NSC 158041;NSC-158041;2,4,6-trimethylbenzenesulfonylhydrazide;2,4,6-Trimethylbenzenesulfonyl hydrazine;2,4,6-Trimethylbenzenesulfonohydrazide #;AS-17922;CS-0153362;FT-0612780;M1198;2,4,6-Trimethylbenzenesulfonic acid hydrazide;2,4,6-Trimethylbenzenesulfonohydrazide, 97%;Benzenesulfonic acid,4,6-trimethyl-, hydrazide;C93429;EN300-7366368;J-507084

Chemical Property of 2,4,6-Trimethylbenzenesulfonohydrazide

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 1.21E-05mmHg at 25°C
• Melting Point: 112-114 °C (dec.)(lit.)
• Refractive Index: 1.557
• Boiling Point: 369.1 °C at 760 mmHg
• PKA: 9.58±0.10(Predicted)
• Flash Point: 177 °C
• PSA: 80.57000
• Density: 1.217 g/cm³
• LogP: 2.93580
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.07759887
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Trimethylbenzenesulfonohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 5-11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NN)C
• Uses: 2,4,6-Trimethylbenzenesulfonohydrazide has been used in the synthesis of:(E)-N′-(1-((1S*,4aR*,8aR*)-1-hydroxydecahydronaphthalen-4a-yl)ethylidene)-2,4,6-trimethylbenzenesulfonohydrazidecomplanadine alkaloids

Technology Process of 2,4,6-Trimethylbenzenesulfonohydrazide

There total 5 articles about 2,4,6-Trimethylbenzenesulfonohydrazide 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: 89.0%

2-mesitylenesulphonyl chloride (773-64-8) → 2,4,6-trimethylbenzenesulfonohydrazide (16182-15-3)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; at -10 - 25 ℃; for 0.75h;

DOI:10.15227/orgsyn.074.0217

Reference yield:

ethyl O-(2-mesitylenesulfonyl)acetohydroxamate (38202-27-6) → 2,4,6-trimethylbenzenesulfonohydrazide (16182-15-3)

Guidance literature:

With perchloric acid; In 1,4-dioxane; water; at 0 ℃; for 7.58333h;

Reference yield:

C9H13ClO2S → 2,4,6-trimethylbenzenesulfonohydrazide (16182-15-3)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

DOI:10.1039/c5ob02075a

upstream raw materials:

2-mesitylenesulphonyl chloride

ethyl O-(2-mesitylenesulfonyl)acetohydroxamate

1,3,5-trimethyl-benzene

Downstream raw materials:

C₁₃H₁₈N₂O₂S

C₁₅H₂₄N₂O₄S

N-(mesitylsulfonyl)morpholine

Refernces

• 1、 Zhang, Guofu,Fan, Qiankun,Wang, Huimin,Zhao, Yiyong,Ding, Chengrong. "NaHSO3-Mediated Direct Synthesis of Sulfinic Esters from Sulfonyl Hydrazides under Transition-Metal-Free Conditions". supporting information. p. 833 - 837. Retrieved 2020/12/07.
• 2、 Lv, Mengting,Liu, Yufeng,Li, Ke,Yang, Guoping. "Synthesis of symmetrical / unsymmetrical thiosulfonates through the disproportionate coupling reaction of sulfonyl hydrazide mediated by phosphomolybdic acid". supporting information. . Retrieved 2021/01/21.