1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea

Base Information

• Chemical Name: 1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
• CAS No.: 5155-77-1
• Molecular Formula: C15H12 N2 O
• Molecular Weight: 304.4487
• DSSTox Substance ID: DTXSID30385291
• Mol file: 5155-77-1.mol

Synonyms:1,1-dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea;5155-77-1;202131-17-7;DTXSID30385291;STL298379;AKOS002275418;AKOS016047568;EU-0013362;VU0065259-2;F1068-1025

Chemical Property of 1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea

Chemical Property:

• Vapor Pressure: 5.59E-11mmHg at 25°C
• Boiling Point: 521.6°Cat760mmHg
• Flash Point: 269.3°C
• Density: 1.11g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 304.18206393
• Heavy Atom Count: 20
• Complexity: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C(=O)NC1(CCS(=O)(=O)C1)C

Technology Process of 1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea

There total 6 articles about 1,1-Dibutyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea 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: 76.0%

1-benzylamino-2-indolinone (126554-96-9) → 2-benzyl-3(2H)-cinnolinone (5155-77-1)

Guidance literature:

With tert-butylhypochlorite; In benzene;

Reference yield: 62.0%

cinnolin-3(2H)-one (31777-46-5) + benzoyl chloride (98-88-4) → 2-benzyl-3(2H)-cinnolinone (5155-77-1)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

Reference yield:

1-amino-1,3-dihydro-2H-indol-2-one (36149-75-4) → 2-benzyl-3(2H)-cinnolinone (5155-77-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / ethanol / Heating

2: H₂ / palladium on chalcoal / ethanol / 2327.2 Torr

3: 76 percent / t-butyl hypochlorite / benzene

With tert-butylhypochlorite; hydrogen; palladium on activated charcoal; In ethanol; benzene;

upstream raw materials:

cinnolin-3(2H)-one

benzoyl chloride

1-benzylamino-2-indolinone

1-amino-1,3-dihydro-2H-indol-2-one

Refernces