Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)-

Base Information

• Chemical Name: Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)-
• CAS No.: 60786-12-1
• Molecular Formula: C₁₈H₂₆N₂O₂S
• Molecular Weight: 334.483
• DSSTox Substance ID: DTXSID80209615
• Wikidata: Q83083967
• Mol file: 60786-12-1.mol

Synonyms:N,N-Bis(2-methylpropyl)-N'-(phenylthioxomethyl)propanediamide;Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)-;60786-12-1;DTXSID80209615;LS-119699

Chemical Property of Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.096g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 334.17149925
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)-

There total 3 articles about Propanediamide, N,N-bis(2-methylpropyl)-N'-(phenylthioxomethyl)- 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: 70.0%

diisobutylamine (110-96-3) + 4-hydroxy-2-phenyl-4,5-dihydro-[1,3]thiazin-6-one → N,N-Diisobutyl-N'-thiobenzoylmalonamid (60786-12-1)

Guidance literature:

In toluene; at 20 - 115 ℃; for 0.833333h;

DOI:10.1007/BF02219700

Reference yield:

2-phenyl-4-hydroxy-6H-1,3-thiazin-6-one (65235-90-7) + diisobutylamine (110-96-3) → N,N-Diisobutyl-N'-thiobenzoylmalonamid (60786-12-1)

Guidance literature:

Yield given. Multistep reaction; 1.) toluene, from 20 deg C to 25 deg C, 30 min, 2.) toluene, 115 deg C, 20 min;

Reference yield:

→ N,N-Diisobutyl-N'-thiobenzoylmalonamid (60786-12-1)

Guidance literature:

Thiazindionsalz V, Aminolyse;

upstream raw materials:

2-phenyl-4-hydroxy-6H-1,3-thiazin-6-one

diisobutylamine