Ethyl pyridin-2-ylcarbamate

Base Information

• Chemical Name: Ethyl pyridin-2-ylcarbamate
• CAS No.: 5255-67-4
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• NSC Number: 36241
• DSSTox Substance ID: DTXSID20284209
• Nikkaji Number: J1.390.999G
• Wikidata: Q72504120
• ChEMBL ID: CHEMBL3235067
• Mol file: 5255-67-4.mol

Synonyms:ethyl pyridin-2-ylcarbamate;5255-67-4;ethyl N-pyridin-2-ylcarbamate;ethyl N-(pyridin-2-yl)carbamate;Carbamic acid, 2-pyridinyl-, ethyl ester;CHEMBL3235067;6314-11-0;PYRIDIN-2-YLCARBAMIC ACID ETHYL ESTER;Ethyl 2-pyridinylcarbamate;ethylpyridin-2-ylcarbamate;N-pyridyl-4-ethylurethane;Ethyl (2-pyridyl)carbamate;Oprea1_495575;Oprea1_791865;Ethyl 2-pyridinylcarbamate #;SCHEMBL6179239;DTXSID20284209;NSC36241;2-pyridinylcarbamic acid ethyl ester;BDBM50006542;MFCD00234433;NSC 36241;NSC-36241;STL301494;AKOS003239350;SB54214;LS-08266;CS-0088372;FT-0613396;D96330;AC-907/25004804

Chemical Property of Ethyl pyridin-2-ylcarbamate

Chemical Property:

• Vapor Pressure: 0.0731mmHg at 25°C
• Melting Point: 105.5 °C(Solv: ethyl ether (60-29-7))
• Refractive Index: 1.562
• Boiling Point: 228.5 °C at 760 mmHg
• PKA: 12.56±0.70(Predicted)
• Flash Point: 92 °C
• PSA: 51.22000
• Density: 1.198 g/cm³
• LogP: 1.72300
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Ethylpyridin-2-ylcarbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=CC=N1

Technology Process of Ethyl pyridin-2-ylcarbamate

There total 4 articles about Ethyl pyridin-2-ylcarbamate 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: 50.0%

[1,2]diazepine-1-carboxylic acid ethyl ester (17377-08-1) → ethyl 2-pyridinylcarbamate (5255-67-4) + N-(ethoxycarbonylimino)pyridinium ylide (23025-55-0)

Guidance literature:

In xylene; Heating;

DOI:10.1248/cpb.29.3688

Reference yield: 33.0%

[1,2]diazepine-1-carboxylic acid ethyl ester (17377-08-1) → ethyl 2-pyridinylcarbamate (5255-67-4) + 1,3-di-pyridin-2-yl-urea (6268-43-5)

Guidance literature:

With iron pentacarbonyl; In toluene; for 24h; Heating;

DOI:10.3987/R-1986-05-1411

Reference yield:

N-(Pyridin-2-yl)urea (13114-64-2) + Triethyl orthoacetate (78-39-7) → ethyl 2-pyridinylcarbamate (5255-67-4) + 1,3-di-pyridin-2-yl-urea (6268-43-5)

Guidance literature:

DOI:10.1021/ja01627a029

upstream raw materials:

N-(Pyridin-2-yl)urea

Triethyl orthoacetate

orthoformic acid triethyl ester

[1,2]diazepine-1-carboxylic acid ethyl ester

Downstream raw materials:

1-[(4-methylphenyl)sulfonyl]-3-(pyridin-2-yl)urea

2-aminopyridine N-oxide

2-ethoxycarbonylaminopyridine N-oxide

[Co₂(benzene-1,4-bis(3-pyridin-2-ylurea)(-H))₃]NO₃

Refernces

• 1、 Kurita,Kojima,Tsuchiya. "Studies on diazepines. XVI. Synthesis of monocyclic 1,3-diazepines. (1). Thermolysis of 1,2-diazepines formed from methylpyridine N-imides". . p. 3688 - 3695. Retrieved 2007/10/02.