N-Ethyl-N-phenylurethane

Base Information

• Chemical Name: N-Ethyl-N-phenylurethane
• CAS No.: 1013-75-8
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2924299090
• European Community (EC) Number: 213-796-1
• NSC Number: 6776
• UNII: JCE035VYFP
• DSSTox Substance ID: DTXSID40143829
• Nikkaji Number: J217.134A
• Wikidata: Q27281435
• Mol file: 1013-75-8.mol

Synonyms:N-Ethyl-N-phenylurethane;1013-75-8;Ethyl N-ethyl-N-phenylcarbamate;Ethyl phenylurethane;Ethyl ethyl(phenyl)carbamate;UNII-JCE035VYFP;CARBANILIC ACID, N-ETHYL-, ETHYL ESTER;Carbamic acid, ethylphenyl-, ethyl ester;JCE035VYFP;HSDB 2753;NSC 6776;NSC-6776;EINECS 213-796-1;Carbamic acid, ehtylphenyl-, ethyl ester;AI3-06187;Carbamic acid, N-ethyl-N-phenyl-, ethyl ester;Athylphenylurethan;ethyl-phenyl-carbamic acid ethyl ester;Carbamic acid,ethylphenyl-, ethyl ester (9CI);SCHEMBL1400828;DTXSID40143829;NSC6776;Ethylphenylcarbamic acid ethyl ester;MFCD00035796;AKOS008969657;N-Ethyl-N-phenylcarbamic acid, ethyl ester;Carbamic acid,ethylphenyl-,ethyl ester(9ci);FT-0633246;Q27281435

Chemical Property of N-Ethyl-N-phenylurethane

Chemical Property:

• Vapor Pressure: 0.0086mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 266.5 °C at 760 mmHg
• PKA: 0.25±0.50(Predicted)
• Flash Point: 115 °C
• PSA: 29.54000
• Density: 1.071 g/cm³
• LogP: 2.66940
• Water Solubility.: 1.424g/L at 20.1℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: CCN(C1=CC=CC=C1)C(=O)OCC

Technology Process of N-Ethyl-N-phenylurethane

There total 4 articles about N-Ethyl-N-phenylurethane 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: 57.0%

ethyl-phenyl-thiocarbamic acid O-ethyl ester (83441-23-0) → ethyl-phenyl-carbamic acid ethyl ester (1013-75-8)

Guidance literature:

With hydrogenchloride; N-methyl-N-nitrosoaniline; potassium iodide; In dichloromethane; water; at 22 ℃; for 16h;

DOI:10.1016/S0040-4020(01)88548-3

Reference yield:

2-ethoxy-3-phenyl-1,3-oxazolidine (102675-56-9) → ethyl-phenyl-carbamic acid ethyl ester (1013-75-8)

Guidance literature:

With di-tert-butyl peroxide; In chlorobenzene; at 130 ℃; for 5h; Product distribution;

Reference yield:

chloroformic acid ethyl ester (541-41-3) + N-ethyl-N-phenylamine (103-69-5) → ethyl-phenyl-carbamic acid ethyl ester (1013-75-8)

Guidance literature:

In 1,4-dioxane; at 25 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), different temp.;

upstream raw materials:

chloroformic acid ethyl ester

N-ethyl-N-phenylamine

ethyl-phenyl-thiocarbamic acid O-ethyl ester

2-ethoxy-3-phenyl-1,3-oxazolidine

Downstream raw materials:

ethyl-(4-nitro-phenyl)-carbamic acid ethyl ester

ethyl 4-nitrophenylcarbamate

ethyl-phenyl-thiocarbamic acid O-ethyl ester

N-ethyl-N-phenylamine

Refernces

• 1、 Taganlyev, A.,Rol'nik, L. Z.,Pastushenko, E. V.,Zlot-skii, S. S.,Rakhmankulov, D. L.. "REACTIVITY OF THE SULFUR-CONTAINING ANALOGS OF ORTHO ESTERS IN FREE-RADICAL REACTIONS". . p. 270 - 272. Retrieved 2007/10/02.
• 2、 Jorgensen, K. A.,El-Wassimy, M. T. M.,Lawesson, S. -O.. "N-NITROSAMINES AS REAGENTS FOR THE =C=S=C=O TRANSFORMATION". . p. 469 - 474. Retrieved 2007/10/02.