Diethyl Propane-1,3-Diylbiscarbamate

Base Information

• Chemical Name: Diethyl Propane-1,3-Diylbiscarbamate
• CAS No.: 818-45-1
• Molecular Formula: C9H18N2O4
• Molecular Weight: 218.253
• NSC Number: 165589
• UNII: F54CSU6844
• DSSTox Substance ID: DTXSID50304388
• Wikidata: Q27097702
• Metabolomics Workbench ID: 151631
• Mol file: 818-45-1.mol

Synonyms:Diethyl Propane-1,3-Diylbiscarbamate;PROPYLENE DIURETHANE;818-45-1;NSC-165589;F54CSU6844;ethyl N-[3-(ethoxycarbonylamino)propyl]carbamate;UNII-F54CSU6844;Ethyl N-(3-(ethoxycarbonylamino)propyl)carbamate;N,N'-Propanediyl-bis-carbamic acid diethyl ester;Carbamic acid, 1,3-propanediylbis-, diethyl ester;NSC165589;ethyl N-{3-[(ethoxycarbonyl)amino]propyl}carbamate;SCHEMBL21068069;DTXSID50304388;AKOS003877931;DB08501;Q27097702

Chemical Property of Diethyl Propane-1,3-Diylbiscarbamate

Chemical Property:

• Vapor Pressure: 1.52E-05mmHg at 25°C
• Boiling Point: 365.9°Cat760mmHg
• Flash Point: 175.1°C
• Density: 1.082g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 218.12665706
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NCCCNC(=O)OCC

Technology Process of Diethyl Propane-1,3-Diylbiscarbamate

There total 3 articles about Diethyl Propane-1,3-Diylbiscarbamate 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:

chloroformic acid ethyl ester (541-41-3) + Trimethylenediamine (109-76-2,54018-94-9) → N,N'-propanediyl-bis-carbamic acid diethyl ester (818-45-1)

Guidance literature:

With diethyl ether; ethanol;

Reference yield:

ethanol (64-17-5) + pentanedioyl azide (64624-44-8) → N,N'-propanediyl-bis-carbamic acid diethyl ester (818-45-1)

Guidance literature:

Reference yield:

→ N,N'-propanediyl-bis-carbamic acid diethyl ester (818-45-1)

Guidance literature:

Trimethylendiamin, Ethylchlorformiat, Ether;

upstream raw materials:

ethanol

pentanedioyl azide

chloroformic acid ethyl ester

Trimethylenediamine

Downstream raw materials:

Diethyl carbonate