Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester
• CAS No.: 60786-07-4
• Molecular Formula: C19H28N2O2S2
• Molecular Weight: 380.5678
• DSSTox Substance ID: DTXSID20209614
• Wikidata: Q83083966

Synonyms:Phenylmethyl (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)carbamodithioate;Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester;60786-07-4;DTXSID20209614;C19H28N2O2S2;C19-H28-N2-O2-S2;LS-50763

Chemical Property of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.139g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 380.15922049
• Heavy Atom Count: 25
• Complexity: 437

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)SCC1=CC=CC=C1

Technology Process of Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester

There total 2 articles about Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester 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: 75.0%

2-benzylthio-4,6-dioxo-5,6-dihydro-4H-1,3-thiazine (30531-08-9) + 2-(3,4-dimethoxy-phenyl)-4-hydroxy-4,5-dihydro-[1,3]thiazin-6-one → N,N-Diisobutyl-N'-dithiocarbobenzoxymalonamid (60786-07-4)

Guidance literature:

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

DOI:10.1007/BF02219700

Reference yield:

→ N,N-Diisobutyl-N'-dithiocarbobenzoxymalonamid (60786-07-4)

Guidance literature:

/BRN= 76418/ in Dioxan, Di-iso-butylamin in Ae.;

upstream raw materials:

2-benzylthio-4,6-dioxo-5,6-dihydro-4H-1,3-thiazine

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