2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide

Base Information

• Chemical Name: 2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide
• CAS No.: 114234-09-2
• Molecular Formula: C₁₄H₁₄P₂S₆
• Molecular Weight: 436.609
• Hs Code.: 2930909090
• European Community (EC) Number: 620-975-1
• DSSTox Substance ID: DTXSID20405078
• Nikkaji Number: J208.165B,J743.834F
• Mol file: 114234-09-2.mol

Synonyms:114234-09-2;Davy-reagent p-tolyl;2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide;2,4-Bis(p-tolylthio)-1,3,2,4-dithiadiphosphetane 2,4-disulfide;1,3,2,4-Dithiadiphosphetane, 2,4-bis[(4-methylphenyl)thio]-, 2,4-disulfide;2,4-bis[(4-methylphenyl)sulfanyl]-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane;SCHEMBL1165126;DTXSID20405078;WMYQGZHFMUDZIS-UHFFFAOYSA-N;Davy-reagent p-tolyl, >=97.0%;AKOS015911960;B1376;CS-0441347;FT-0600348;D88793;J-003065;2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane 2,4-Disulfide;1,3,2,4-Dithiadiphosphetane,2,4-bis[(4-methylphenyl)thio]-,2,4-disulfide;bis[(4-methylphenyl)sulfanyl]-1,3,2,4-dithiadiphosphetane-2,4-dithione

Chemical Property of 2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide

Chemical Property:

• Vapor Pressure: 2.96E-12mmHg at 25°C
• Melting Point: 209-213 °C (dec.)
• Refractive Index: 1.76
• Boiling Point: 566.214 °C at 760 mmHg
• Flash Point: 296.236 °C
• PSA: 185.00000
• Density: 1.521 g/cm³
• LogP: 9.41800
• Storage Temp.: -20°C
• Solubility.: Chloroform (Slightly, Heated), DMSO (Sparingly, Heated)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 435.88950148
• Heavy Atom Count: 22
• Complexity: 420

Purity/Quality:

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

ERK ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SP2(=S)SP(=S)(S2)SC3=CC=C(C=C3)C
• Uses: 2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide is used in preparation of (Cyclohexyl)pyridine Carboxamides as herbicides.

Technology Process of 2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide

There total 1 articles about 2,4-Bis(p-tolylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide 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: 81.0%

para-thiocresol (106-45-6) → 2,4-bis(4-methylphenylthio)-1,3,2λ5,4λ5-dithiadiphosphetane-2,4-dithione (114234-09-2)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; for 4h; Heating;

DOI:10.1002/hlca.19870700412

Reference yield: 57.0%

RA-VII (122621-60-7,144993-87-3,144993-88-4,86229-97-2) + 2,4-bis(4-methylphenylthio)-1,3,2λ5,4λ5-dithiadiphosphetane-2,4-dithione (114234-09-2) → RA-VII (159581-87-0) + [Tyr-3-Ψ(CS-NH)-Ala-4; Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII (159581-88-1) + [Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII (180850-29-7) + [Ala-2-Ψ(CS-NH)-Tyr-3; Tyr-3-Ψ(CS-NH)-Ala-4]RA-VII + [D-Ala-1-Ψ(CS-NH)-Ala-2; Tyr-3-Ψ(CS-NH)-Ala-4]RA-VII

Guidance literature:

In 1,4-dioxane; at 50 ℃; for 6h; Product distribution; various reaction times and other reagent;

DOI:10.1039/P19960001749

upstream raw materials:

para-thiocresol

Downstream raw materials:

RA-VII

[Tyr-3-Ψ(CS-NH)-Ala-4; Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII

[Tyr-6-Ψ(CS-NH)-D-Ala-1]RA-VII

Refernces