Isobutylidenediurea

Base Information

• Chemical Name: Isobutylidenediurea
• CAS No.: 6104-30-9
• Deprecated CAS: 55680-30-3
• Molecular Formula: C6H14 N4 O2
• Molecular Weight: 174.203
• Hs Code.: 3105900000
• European Community (EC) Number: 228-055-8
• ICSC Number: 1279
• UNII: 20K1225668
• DSSTox Substance ID: DTXSID8027614
• Nikkaji Number: J3.082A
• Wikipedia: Isobutylidenediurea
• Wikidata: Q17082419
• Mol file: 6104-30-9.mol

Synonyms:diureido isobutane;DUIB;isobutylidene diurea;isobutylidene urea

Chemical Property of Isobutylidenediurea

Chemical Property:

• Appearance/Colour: WHITE CRYSTALS.
• Melting Point: 195-205ºC
• Refractive Index: 1.6700 (estimate)
• Boiling Point: 309.9 °C at 760 mmHg
• PKA: 12.55±0.46(Predicted)
• Flash Point: 141.2 °C
• PSA: 110.24000
• Density: 1.18 g/cm³
• LogP: 1.48750
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.11167570
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99.0% ^*data from raw suppliers

IsobutylideneDiurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(NC(=O)N)NC(=O)N
• Recent EU Clinical Trials: Intensiv ikke-sympatikus aktiverende vasodilaterende behandling hos patienter med mikrovaskul?r angina pectoris
• Uses: Isobutylidene Diurea is used in the making of the The NPK fertilizer that enhances significant increase in growth, nutrient uptake of Chrysanthemum x grandiflorum during different vegetation phases.

Technology Process of Isobutylidenediurea

There total 4 articles about Isobutylidenediurea 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: 90.0%

isobutyraldehyde (78-84-2) + urea (57-13-6) → isobutylidine diurea (6104-30-9)

Guidance literature:

With benzyltrimethylammonium chloride; In water; at 40 - 45 ℃; for 0.333333h;

Reference yield: 10.0%

N-(2-methyl-1-tosylprop-1-yl)urea → isobutylidine diurea (6104-30-9)

Guidance literature:

With sodium cyanide; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1016/j.tet.2020.131340

Reference yield:

5-isopropyl-3-(toluene-4-sulfonyloxy)-imidazolidine-2,4-dione (25113-43-3) → isobutylidine diurea (6104-30-9)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

5-isopropyl-3-(toluene-4-sulfonyloxy)-imidazolidine-2,4-dione

isobutyraldehyde

urea

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF ISOBUTYLIDENE DIUREA". Paragraph 0053-0057. . Retrieved 2014/02/16.