Ethyl ethylcarbamate

Base Information

• Chemical Name: Ethyl ethylcarbamate
• CAS No.: 623-78-9
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2924199090
• European Community (EC) Number: 210-812-9
• NSC Number: 440
• UNII: P1WCG74L8I
• DSSTox Substance ID: DTXSID0060775
• Nikkaji Number: J3.008B
• Wikidata: Q27286016
• Mol file: 623-78-9.mol

Synonyms:Ethyl N-ethylcarbamate;Ethyl ethylcarbamate;N-Ethylurethane;623-78-9;Ethylcarbamic acid, ethyl ester;Ethyl-N-ethyl carbamate;CARBAMIC ACID, ETHYL-, ETHYL ESTER;ethyl-N-ethylcarbamate;HSDB 5506;NSC 440;EINECS 210-812-9;UNII-P1WCG74L8I;BRN 1744742;P1WCG74L8I;ethyl-carbamic acid ethyl ester;NSC-440;4-04-00-00365 (Beilstein Handbook Reference);Ethyln-ethylcarbamate;N-Ethylurethan;ethyl N-ethyl-carbamate;ethyl-carbamic ethyl ester;WLN: 2OVM2;SCHEMBL149187;NSC440;DTXSID0060775;GZXSDYYWLZERLF-UHFFFAOYSA-;N-ethyl-carbamic acid ethyl ester;MFCD00009102;AKOS003862635;Carbamic acid, N-ethyl-, ethyl ester;LS-49744;FT-0632622;CARBAMIC ACID, ETHYL-, ETHYL ESTER [HSDB];J-802252;Q27286016

Chemical Property of Ethyl ethylcarbamate

Chemical Property:

• Appearance/Colour: white
• Vapor Pressure: 1.12mmHg at 25°C
• Melting Point: 60°C (estimate)
• Refractive Index: n20/D 1.421(lit.)
• Boiling Point: 85 °C20 mm Hg(lit.)
• PKA: 13.03±0.46(Predicted)
• Flash Point: 168 °F
• PSA: 38.33000
• Density: 0.981 g/mL at 25 °C(lit.)
• LogP: 1.14330
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99%, ^*data from raw suppliers

ETHYL N-ETHYL CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 40-36/37/38
• Safety Statements: 36/37/39-26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: CCNC(=O)OCC

Technology Process of Ethyl ethylcarbamate

There total 38 articles about Ethyl ethylcarbamate 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: 88.0%

triethyl borane (97-94-9) + urethane (51-79-6) → ethyl N-ethylcarbamate (623-78-9)

Guidance literature:

multistep reaction, a novel synthesis of N-alkylcarbamates;

DOI:10.1016/S0040-4039(00)98045-6

Reference yield: 54.0%

ethanol (64-17-5) + Propionamid (79-05-0) → ethyl N-ethylcarbamate (623-78-9)

Guidance literature:

With tetra-N-butylammonium tribromide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1246/bcsj.61.1401

Reference yield: 41.0%

orthocarbonic acid tetraethyl ester (78-09-1) + ethanamine hydrochloride (557-66-4) → ethyl N-ethylcarbamate (623-78-9) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

Heating;

upstream raw materials:

diethyl ether

ethanol

propionyl azide

phenyl thiocyanate

Downstream raw materials:

[¹⁴C]1-ethyl-7-(4-methoxybenzyl)-1H-purine-2,6(3H,7H)-dione

cyanuric acid

ethanol

ethyl N,N-diethylcarbamate

Refernces

• 1、 Li, Fengjiao,Li, Huiquan,Wang, Liguo,He, Peng,Cao, Yan. "Magnesium oxide nanosheets as effective catalysts for the synthesis of diethyl carbonate from ethyl carbamate and ethanol". . p. 1021 - 1034. Retrieved 2015/02/19.
• 2、 -. "Process for making dialkyl carbonates". Page/Page column 10; 11. . Retrieved 2008/06/13.