1-Ethyltriazoline

Base Information

• Chemical Name: 1-Ethyltriazoline
• CAS No.: 17886-23-6
• Molecular Formula: C4H9N3
• Molecular Weight: 99.1356
• DSSTox Substance ID: DTXSID60170551
• Nikkaji Number: J533.404G
• Wikidata: Q83040462
• Mol file: 17886-23-6.mol

Synonyms:1-Ethyltriazoline;17886-23-6;CCRIS 6588;DTXSID60170551

Chemical Property of 1-Ethyltriazoline

Chemical Property:

• Vapor Pressure: 21.2mmHg at 25°C
• Boiling Point: 113°Cat760mmHg
• Flash Point: 22.2°C
• Density: 1.13g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 99.079647300
• Heavy Atom Count: 7
• Complexity: 79

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN=N1

Technology Process of 1-Ethyltriazoline

There total 2 articles about 1-Ethyltriazoline 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: 24.0%

ethyl azide (871-31-8) → 1-ethyl-4,5-dihydro-1H-[1,2,3]triazole (17886-23-6)

Guidance literature:

DOI:10.1021/jo00060a027

Reference yield:

→ 1-ethyl-4,5-dihydro-1H-[1,2,3]triazole (17886-23-6)

Guidance literature:

Reference yield:

1-ethyl-4,5-dihydro-1H-[1,2,3]triazole (17886-23-6) → N-ethylaziridine (1072-45-3) + ethylamine (75-04-7,85404-22-4) + acetaldehyde (75-07-0,9002-91-9) + 2-(Ethylamino)ethanol (110-73-6)

Guidance literature:

With water; at 25 ℃; Rate constant; Mechanism; pH 10.75 (lysine buffer); other pH (other buffer concentration), H/D isotope effect;

DOI:10.1021/jo00060a027

upstream raw materials:

ethyl azide

Downstream raw materials:

N-ethylaziridine

ethylamine

acetaldehyde

2-(Ethylamino)ethanol