1,3-Bis[3-(dimethylamino)propyl]urea

Base Information

• Chemical Name: 1,3-Bis[3-(dimethylamino)propyl]urea
• CAS No.: 52338-87-1
• Molecular Formula: C11H26N4O
• Molecular Weight: 230.354
• Hs Code.: 2924199090
• European Community (EC) Number: 257-861-2
• DSSTox Substance ID: DTXSID4068741
• Nikkaji Number: J295.640C
• Wikidata: Q72445175
• Mol file: 52338-87-1.mol

Synonyms:1,3-bis[3-(dimethylamino)propyl]urea;52338-87-1;1,3-Bis(3-(dimethylamino)propyl)urea;Urea, N,N'-bis[3-(dimethylamino)propyl]-;C11H26N4O;EINECS 257-861-2;MFCD18970150;N,N'-Bis(3-(dimethylamino)propyl)urea;Urea,N,N'-bis[3-(dimethylamino)propyl]-;Urea, N,N'-bis(3-(dimethylamino)propyl)-;N,N'-Bis[3-(dimethylamino)propyl]urea;SCHEMBL36169;DTXSID4068741;1,3-bis(dimethylaminopropyl)urea;C11-H26-N4-O;AKOS015919693;SY104889;AM20120639;CS-0151252

Chemical Property of 1,3-Bis[3-(dimethylamino)propyl]urea

Chemical Property:

• Appearance/Colour: clear, light yellow liquid
• Vapor Pressure: 6.58E-06mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 377.8 °C at 760 mmHg
• PKA: 14.12±0.46(Predicted)
• Flash Point: 182.3 °C
• PSA: 47.61000
• Density: 0.962 g/cm³
• LogP: 0.97080
• Storage Temp.: 2-8°C
• Water Solubility.: 10g/L at 20℃
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 230.21066147
• Heavy Atom Count: 16
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1,3-Bis[3-(dimethylamino)propyl]urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCCNC(=O)NCCCN(C)C

Technology Process of 1,3-Bis[3-(dimethylamino)propyl]urea

There total 6 articles about 1,3-Bis[3-(dimethylamino)propyl]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: 94.8%

1-amino-3-(dimethylamino)propane (109-55-7) + urea (57-13-6) → N,N′-bis(3-dimethylaminopropyl)urea (52338-87-1)

Guidance literature:

With semicarbazide hydrochloride; hydrazine hydrate; at 110 - 130 ℃; for 2h; Reagent/catalyst; Temperature;

Reference yield: 92.0%

bis(trichloromethyl) carbonate (32315-10-9) + 1-amino-3-(dimethylamino)propane (109-55-7) → N,N′-bis(3-dimethylaminopropyl)urea (52338-87-1)

Guidance literature:

In benzine; at 10 ℃; for 2h; Solvent; Temperature;

Reference yield: 59.0%

diallyl dicarbonate (115491-93-5) + 1-amino-3-(dimethylamino)propane (109-55-7) → N,N′-bis(3-dimethylaminopropyl)urea (52338-87-1) + (3-Dimethylamino-propyl)-carbamic acid allyl ester (24579-76-8)

Guidance literature:

In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(01)81059-5

upstream raw materials:

1-amino-3-(dimethylamino)propane

urethane

diallyl dicarbonate

urea

Downstream raw materials:

1,3-bis-(3-dimethylamino-propyl)-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione

Refernces

• 1、 Hoffmann, Sascha,Justus, Eugen,Ratajski, Michal,Lork, Enno,Gabel, Detlef. "B12H11-containing guanidinium derivatives by reaction of carbodiimides with H3N-B12H11(1-). a new method for connecting boron clusters to organic compounds". . p. 2757 - 2760. Retrieved 2005.
• 2、 -. "Synthetic process for N,N'-bi(3-dimethylaminopropyl)urea". Paragraph 0027-0056. . Retrieved 2020/04/02.