Diethyl 1H-1,2,4-triazol-1-ylphosphonite

Base Information

• Chemical Name: Diethyl 1H-1,2,4-triazol-1-ylphosphonite
• CAS No.: 58673-12-4
• Molecular Formula: C6H12 N3 O2 P
• Molecular Weight: 189.154
• European Community (EC) Number: 261-387-1
• UNII: SS3BWB6N42
• DSSTox Substance ID: DTXSID60207376
• Nikkaji Number: J297.001E
• Wikidata: Q83081271
• Mol file: 58673-12-4.mol

Synonyms:Diethyl 1H-1,2,4-triazol-1-ylphosphonite;58673-12-4;DIETHYL PHOSPHOROTRIAZOLIDITE;SS3BWB6N42;EINECS 261-387-1;(1H-1,2,4-Triazol-1-yl)phosphonous acid diethyl ester;UNII-SS3BWB6N42;C6H12N3O2P;DTXSID60207376;C6-H12-N3-O2-P;AKOS006275293;diethyl (1H-1,2,4-triazol-1-yl)phosphonite

Chemical Property of Diethyl 1H-1,2,4-triazol-1-ylphosphonite

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Boiling Point: 253.7°Cat760mmHg
• Flash Point: 107.2°C
• Density: g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 189.06671363
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL PHOSPHOROTRIAZOLIDITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(N1C=NC=N1)OCC

Technology Process of Diethyl 1H-1,2,4-triazol-1-ylphosphonite

There total 2 articles about Diethyl 1H-1,2,4-triazol-1-ylphosphonite 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: 40.0%

diethyl phosphorylchloridite (589-57-1) + 1-trimethylsilyl-1,2,4-triazole (18293-54-4) → chloro-trimethyl-silane (75-77-4) + [1,2,4]triazol-1-yl-phosphonous acid diethyl ester (58673-12-4)

Guidance literature:

In dichloromethane; for 1h; Ambient temperature;

Reference yield:

→ [1,2,4]triazol-1-yl-phosphonous acid diethyl ester (58673-12-4)

Guidance literature:

1-(Trimethylsilyl)-1,2,4-triazol, Diethylphosphorchloridit;

upstream raw materials:

diethyl phosphorylchloridite

1-trimethylsilyl-1,2,4-triazole

Refernces