Dithiooxamide

Base Information

• Chemical Name: Dithiooxamide
• CAS No.: 79-40-3
• Deprecated CAS: 7275-92-5,1092079-37-2,1092079-37-2
• Molecular Formula: C2H4N2S2
• Molecular Weight: 120.199
• Hs Code.: 29309070
• European Community (EC) Number: 201-203-9
• NSC Number: 1893
• UNII: HE28T8Z08D
• DSSTox Substance ID: DTXSID3020546
• Nikkaji Number: J4.882H
• Wikipedia: Dithiooxamide
• Wikidata: Q5283666
• ChEMBL ID: CHEMBL3184806
• Mol file: 79-40-3.mol

Synonyms:dithiooxamide;rubeanic acid

Chemical Property of Dithiooxamide

Chemical Property:

• Appearance/Colour: orange to brown crystalline powder
• Vapor Pressure: 0.0197mmHg at 25°C
• Melting Point: ≥300 °C(lit.)
• Refractive Index: 1.775
• Boiling Point: 252.1 °C at 760 mmHg
• PKA: pK1:10.89 (25°C)
• Flash Point: 106.2 °C
• PSA: 116.22000
• Density: 1.523 g/cm³
• LogP: 0.95920
• Storage Temp.: Store at +15°C to +25°C.
• Solubility.: ethanol: soluble40mg/10 mL, clear, red
• Water Solubility.: Soluble in alcohols. Slightly soluble in water. Insoluble in ether
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.98159048
• Heavy Atom Count: 6
• Complexity: 75.5

Purity/Quality:

99%, ^*data from raw suppliers

Rubeanic Acid >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C(=S)(C(=S)N)N
• Uses: As a reagent for copper, cobalt, and nickel. As a stabilizer of ascorbic acid solutions: Smoczkiewicz, Grochmalicka, Nature 192, 16 (1961). Rubeanic acid may be used for the quantitative precipitation of copper, nickel and cobalt. The copper complex is dark green, the cobalt brownish-red and the nickel violet. All these complexes are chelates of outstanding stability, and this, together with their vivid Colours, affords the reaction great analytical sensitivity. The copper complex is the most stable of the three; it can be precipitated even from mild mineral acidic solution, while precipitation of the corresponding cobalt and nickel complexes requires buffered media. On the other hand, palladium, platinum and silver react with rubeanic acid to give precipitates in strongly acidic solution. It should be mentioned, however, that in the case of platinum and some other metals (zinc, cadmium, silver, lead, mercury) the product is the corresponding sulfide rather than the rubeanate complex. Rubeanic acid reacts with ruthenium to give a blue water-soluble complex ion, which is utilized for the spectrophotometric determination of ruthenium. Rubeanic acid has similarly been used for the spectrophotometric determination of osmium. It has also proved suitable for the solvent extraction separation and determination of thallium. It has been found that thallium exists in the organic phase in the form of a complex of composition Tl/dto/Hdto, where dto represents the rubeanate anion with one negative charge. Dithiooxamide acts as a chelating agent and used in the determination of copper(II), nickel(II) and cobalt(II). It is used as a building block in the synthesis of cyclen. It is involved in the preparation of thiazolothiazole-linked porous organic polymers and N,N'-disubstituted dithiooxamides. It is also employed as a modifier to prepare the modified glassy carbon electrode which is used to investigate the electrochemical properties of quercetin, an important flavonoid derivative. Further, it is involved in the preparation of chelating resin with formaldehyde, which finds application in separation and concentration of silver ions.

Technology Process of Dithiooxamide

There total 9 articles about Dithiooxamide 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: 67.36%

Oxalamide (471-46-5) → dithiooxamide (79-40-3)

Guidance literature:

With Lawessons reagent; In acetonitrile; Heating;

DOI:10.1080/10426509808036982

Reference yield: 21.0%

2-nitroacetamide (14011-21-3) → thiooxalamide (16475-48-2) + dithiooxamide (79-40-3)

Guidance literature:

With Lawessons reagent; In toluene; at 80 ℃; for 0.5h; Other reagent;

DOI:10.1016/S0040-4039(00)99198-6

Reference yield:

ethanedinitrile (460-19-5,25215-76-3) → dithiooxamide (79-40-3)

Guidance literature:

With hydrogen sulfide; in alkoh.Loesung;

upstream raw materials:

ethanedinitrile

2-nitroacetamide

Oxalamide

ethanol

Downstream raw materials:

N,N'-bis-(α-piperidino-benzyl)-dithiooxalamide

N,N'-dicyclohexyldithiooxamide

N,N'-bis(2-hydroxyethyl)dithiooxamide

N,N'-Dipropyl-dithiooxamid

Refernces

Some 2,5- and 5,6-Dihalonicotinic Acids and Their Precursors. II" and "Bithiazole Derivatives

10.1021/je60055a035

The study focuses on the synthesis and spectral data of certain chemical compounds. The first part of the study, conducted by Frank L. Setliff and Gary O. Rankin, involves the preparation of 2-chloro- and 2-bromo-5-fluoronicotinic acid and 6-chloro- and 6-bromo-5-fluoronicotinic acid through the oxidation of corresponding dihalo-3-picolines. The dihalo-3-picolines serve as precursors for the acids. The study also includes the preparation of amines Ie and If through dissolving-metal reduction, and the subsequent diazotization and thermal decomposition to produce other compounds. The second part of the study, conducted by George Y. Sarkis and Subhi Al-Azawe, involves the synthesis of nine bithiazole derivatives by the interaction of rubeanic acid with various α-haloketones. The study provides experimental and spectral data for these compounds. The chemicals involved, such as nicotinic acid, dihalo-3-picolines, rubeanic acid, and α-haloketones, play crucial roles in the synthesis processes and the formation of the target compounds.

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