1-[3-(Dimethylamino)propyl]-3-ethylurea

Base Information

• Chemical Name: 1-[3-(Dimethylamino)propyl]-3-ethylurea
• CAS No.: 32897-26-0
• Molecular Formula: C8H19 N3 O
• Molecular Weight: 173.258
• Hs Code.: 2924199090
• UNII: TYG274NEK5
• DSSTox Substance ID: DTXSID10400678
• Nikkaji Number: J1.832.339G
• Wikidata: Q82203690
• Mol file: 32897-26-0.mol

Synonyms:1-(3-dimethylaminopropyl)-3-ethylurea;EDU cpd;ethyl-3-(3-dimethyl aminopropyl)urea;ethyl-3-(3-dimethyl aminopropyl)urea dihydrochloride

Chemical Property of 1-[3-(Dimethylamino)propyl]-3-ethylurea

Chemical Property:

• Vapor Pressure: 0.000409mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 316.5°C at 760 mmHg
• PKA: 14.67±0.46(Predicted)
• Flash Point: 145.2°C
• PSA: 44.37000
• Density: 0.948g/cm³
• LogP: 1.03900
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 173.152812238
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

1-?[3-?(Dimethylamino)?propyl]?-?3-?ethylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)NCCCN(C)C
• Uses: 1-[3-(Dimethylamino)propyl]-3-ethylurea is used in the preparation of cabergoline, which is a dopamine receptor used to treat Parkinsons syndrom.

Technology Process of 1-[3-(Dimethylamino)propyl]-3-ethylurea

There total 16 articles about 1-[3-(Dimethylamino)propyl]-3-ethylurea 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: 92.6%

tetradecylamine (2016-42-4) + 10,12-docosadiynedioic acid (28393-02-4) + 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride (25952-53-8) → N1,N22-ditetradecyldocosa-10,12-diynediamide + 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (32897-26-0)

Guidance literature:

With dmap; In chloroform; at 25 ℃; for 20h;

Reference yield: 91.3%

→ C58H108N2O2 + 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (32897-26-0)

Guidance literature:

With dmap; In chloroform; at 25 ℃; for 20h;

Reference yield: 85.0%

n-Dodecylamine (124-22-1) + 10,12-docosadiynedioic acid (28393-02-4) + 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride (25952-53-8) → N1,N22-didodecyldocosa-10,12-diynediamide + 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (32897-26-0)

Guidance literature:

In chloroform; at 25 ℃; for 20h; Solvent; Reagent/catalyst;

upstream raw materials:

1-amino-3-(dimethylamino)propane

ethyl isocyanate

1-hydroxy-pyrrolidine-2,5-dione

C₁₆H₁₈N₂O₅

Downstream raw materials:

N-ethyl-N'-(3-phenethyldimethylammoniopropyl)urea toluene-4-sulphonate

N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

Refernces

• 1、 Bergmann, Alexander M.,Boekhoven, Job,Kriebisch, Christine M. E.. "Fuel-Driven Dynamic Combinatorial Libraries". supporting information. p. 7719 - 7725. Retrieved 2021/05/26.
• 2、 Ispikoudi, Maria,Amvrazis, Michalis,Kontogiorgis, Christos,Koumbis, Alexandros E.,Litinas, Konstantinos E.,Hadjipavlou-Litina, Dimitra,Fylaktakidou, Konstantina C.. "Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives". experimental part. p. 5635 - 5645. Retrieved 2011/02/22.