Ethyl propylcarbamate

Base Information

• Chemical Name: Ethyl propylcarbamate
• CAS No.: 623-85-8
• Molecular Formula: C6H13 N O2
• Molecular Weight: 131.175
• Hs Code.: 2924199090
• NSC Number: 35829
• UNII: FEU4D82HLG
• DSSTox Substance ID: DTXSID10211367
• Nikkaji Number: J3.009K
• Wikidata: Q27277949
• Mol file: 623-85-8.mol

Synonyms:Ethyl propylcarbamate;ethyl N-propylcarbamate;N-Propylurethane;623-85-8;Propylurethan;Ethyl N-n-propylcarbamate;N-n-Propyl ethyl carbamate;CARBAMIC ACID, PROPYL-, ETHYL ESTER;UNII-FEU4D82HLG;NSC 35829;FEU4D82HLG;BRN 1749421;AI3-16943;NSC-35829;propylurethane;WLN: 3MVO2;SCHEMBL593148;propyl-carbamic acid ethyl ester;DTXSID10211367;N-propyl-carbamic acid ethyl ester;NSC35829;AKOS003871790;Carbamic acid, n.-propyl-, ethyl ester;LS-50610;CARBAMIC ACID, N-PROPYL-, ETHYL ESTER;Q27277949

Chemical Property of Ethyl propylcarbamate

Chemical Property:

• Vapor Pressure: 0.492mmHg at 25°C
• Melting Point: 38.5°C (estimate)
• Refractive Index: 1.4220 (estimate)
• Boiling Point: 192.3°C at 760 mmHg
• Flash Point: 70.1°C
• PSA: 38.33000
• Density: 0.937g/cm³
• LogP: 1.53340
• Water Solubility.: 98.05g/L(15.5 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL N-PROPYLCARBAMATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=O)OCC

Technology Process of Ethyl propylcarbamate

There total 2 articles about Ethyl propylcarbamate 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: 92.0%

magnesium ethylate (2414-98-4) + benzoyl chloride (98-88-4) + (bis-propylcarbamoyl-methyl)-carbamic acid tert-butyl ester (500109-16-0) → ethyl N-propylcarbamate (623-85-8) + (2-oxo-2-phenyl-1-propylcarbamoyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1016/S0040-4039(02)02420-6

Reference yield:

propylamine (107-10-8,42939-71-9) + Diethyl carbonate (105-58-8,76619-83-5) → ethanol (64-17-5) + ethyl N-propylcarbamate (623-85-8)

Guidance literature:

With tin(ll) chloride; at 60 ℃; for 7.5h; Mechanism; study of the substrate conversion in dependence on the reagent; other reagents;

Reference yield:

ethyl N-propylcarbamate (623-85-8) → N-nitroso-N-n-propylurethane (19935-86-5)

Guidance literature:

With diethyl ether; nitrogen oxides;

upstream raw materials:

propylamine

Diethyl carbonate

magnesium ethylate

benzoyl chloride

Downstream raw materials:

N-nitroso-N-n-propylurethane

(3-oxo-2,3-diphenyl-propionyl)-propyl-carbamic acid ethyl ester

Refernces

• 1、 Porta, Francesca,Cenini, Sergio,Pizzotti, Maddalena,Crotti, Corrado. "REACTIONS OF DIETHYL CARBONATE WITH AMINES CATALYZED BY METAL CENTRES". . p. 275 - 278. Retrieved 2007/10/02.