N,N'-Bis(alpha-methylbenzyl) dithiooxamide

Base Information

• Chemical Name: N,N'-Bis(alpha-methylbenzyl) dithiooxamide
• CAS No.: 33811-86-8
• Molecular Formula: C18H20N2S2
• Molecular Weight: 328.4948
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10955395
• Mol file: 33811-86-8.mol

Synonyms:USAF MK-69;BRN 2758404;N,N'-Bis(alpha-methylbenzyl) dithiooxamide;33811-86-8;Oxamide, N,N'-bis(1-phenylethyl)dithio-;OXAMIDE, N,N'-BIS(alpha-METHYLBENZYL)DITHIO-;DTXSID10955395;LS-99506;N~1~,N~2~-Bis(1-phenylethyl)ethanebis(thioamide)

Chemical Property of N,N'-Bis(alpha-methylbenzyl) dithiooxamide

Chemical Property:

• Boiling Point: 454.4°Cat760mmHg
• Flash Point: 228.6°C
• PSA: 88.24000
• Density: 1.181g/cm³
• LogP: 5.12460
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 328.10679099
• Heavy Atom Count: 22
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=S)C(=S)NC(C)C2=CC=CC=C2

Technology Process of N,N'-Bis(alpha-methylbenzyl) dithiooxamide

There total 1 articles about N,N'-Bis(alpha-methylbenzyl) 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:

dithiooxamide (79-40-3) + rac-methylbenzylamine (618-36-0) → N,N'-di(1-phenylethyl)dithiooxamide (33811-86-8)

Guidance literature:

In ethanol; Ambient temperature;

DOI:10.1021/jo01068a080

Reference yield: 89.0%

dichlorobis(dimethyl sulfoxide)platinum(II) + N,N'-di(1-phenylethyl)dithiooxamide (33811-86-8) → bis(N,N'-di(1-phenylethyl)dithiooxamidato)platinum

Guidance literature:

With NaHCO₃; In chloroform; ligand added to a stirred suspn. of Pt complex, reacted for 0.5 h at room temp., NaHCO3 added, stirred for 0.5 h; filtered, concd., pptd. (petroleum ether), washed (Et2O); elem. anal.;

DOI:10.1021/ic034233d

Reference yield: 21.6%

bis(η3-allyl-μ-chloropalladium(II)) + N,N'-di(1-phenylethyl)dithiooxamide (33811-86-8) → [(η3-allyl)Pd]2[μ-meso-di(1-phenyl)ethyldithiooxamidate-κ-N,N' Pd, κ-S,S' Pd']

Guidance literature:

With sodium bicarbonate; In chloroform; react. Pd complex and ligand (1:2) in CHCl3, soln. was alowed to stand at room temp. for 1/2 h, NaHCO3 was added, soln. was filtered, 1 equiv. Pd complex was added, stirred at room temp. for 1/2 h; solvent was removed, residue was dissolved in CHCl3, column chromy. on alumina; elem. anal.;

DOI:10.1021/ic201616s

upstream raw materials:

dithiooxamide

rac-methylbenzylamine