Trimethylurea

Base Information

• Chemical Name: Trimethylurea
• CAS No.: 632-14-4
• Molecular Formula: C4H10 N2 O
• Molecular Weight: 102.136
• European Community (EC) Number: 211-169-7
• NSC Number: 409292
• UNII: RMK4WZ573B
• DSSTox Substance ID: DTXSID80212548
• Nikkaji Number: J48.977H
• Wikidata: Q69757998
• Mol file: 632-14-4.mol

Synonyms:N,N',N'-trimethylurea

Chemical Property of Trimethylurea

Chemical Property:

• Vapor Pressure: 0.0588mmHg at 25°C
• Melting Point: 74-75°C
• Refractive Index: 1.431
• Boiling Point: 232.5 °C at 760 mmHg
• PKA: 14.38±0.46(Predicted)
• Flash Point: 94.4 °C
• PSA: 32.34000
• Density: 0.947 g/cm^3/sup>
• LogP: 0.27830
• Storage Temp.: Refrigerator, under inert atmosphere
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water.
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.079312947
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

99% ^*data from raw suppliers

Trimethylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)N(C)C
• Uses: It is used as pharmaceutical chemicals.

Technology Process of Trimethylurea

There total 27 articles about Trimethylurea 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: 98.0%

N,N,N-Trimethylureidodimethylstibin (34063-31-5) → 1,1,3-trimethylurea (632-14-4)

Guidance literature:

With hydrogenchloride; In hydrogenchloride; in dild. HCl;

Reference yield: 84.0%

dimethyl amine (124-40-3) + methyl isocyanate (624-83-9) → 1,1,3-trimethylurea (632-14-4)

Guidance literature:

In diethyl ether; cooling;

DOI:10.1021/jo01293a023

Reference yield: 78.0%

N,N'-Dimethylurea (96-31-1) + (dimethylamino)di-n-propylborane (13113-78-5) → (methylamino)di-n-propylborane (118890-68-9) + 1,1,3-trimethylurea (632-14-4)

Guidance literature:

In neat (no solvent); mixt. refluxed (stirred, 190°C, bath temp., 45 h), cooled to room temp., pptn., addn. of n-pentane, pptn.; filtration, evapn., fractional distn. under vacuum;

upstream raw materials:

1,1,3-trimethylthiourea

ethanol

methyl carbonimidodithioic acid dimethyl ester

dimethyl amine

Downstream raw materials:

N'-(2,6-Dichloro-phenyl)-N,N,N''-trimethyl-guanidine

N-nitrodimethylamine

methylammonium carbonate

methylamine

Refernces

• 1、 Chigwada, Tabitha R.,Simoyi, Reuben H.. "S-oxygenation of thiocarbamides II: Oxidation of trimethylthiourea by chlorite and chlorine dioxide". . p. 1094 - 1104. Retrieved 2007/10/03.
• 2、 Gibson, Harry H.,Weissinger, Keith,Abashawl, Aida,Hall, Greg,Lawshae, Tom,et al.. "Photolysis of Dimethylcarbamoyl Azide in the Presence of a Cyclic Aminimide". . p. 3858 - 3861. Retrieved 2007/10/02.