3,5-diphenyl-4H-1,2,4-diazaphosphole

Base Information

• Chemical Name: 3,5-diphenyl-4H-1,2,4-diazaphosphole
• CAS No.: 93646-66-3
• Molecular Formula: C14H11N2P
• Molecular Weight: 238.228
• DSSTox Substance ID: DTXSID20553987
• Nikkaji Number: J2.303.375E
• Wikidata: Q82434758
• Mol file: 93646-66-3.mol

Synonyms:3,5-diphenyl-4H-1,2,4-diazaphosphole;93646-66-3;DTXSID20553987;3,5-diphenyl-[1,2,4]diazaphosphole

Chemical Property of 3,5-diphenyl-4H-1,2,4-diazaphosphole

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.065985357
• Heavy Atom Count: 17
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(P2)C3=CC=CC=C3

Technology Process of 3,5-diphenyl-4H-1,2,4-diazaphosphole

There total 9 articles about 3,5-diphenyl-4H-1,2,4-diazaphosphole 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: 85.0%

C18H22PN2(1+)*Cl(1-) → 1H-3,5-di-phenyl-1,2,4-diazaphosphole (93646-66-3)

Guidance literature:

With hydrazine; In chloroform; Heating;

DOI:10.1016/j.tet.2007.06.069

Reference yield: 62.0%

phenyldiazomethane (908094-04-2) + chlorophosphane (74483-17-3,95919-91-8,95962-66-6) → 1H-3,5-di-phenyl-1,2,4-diazaphosphole (93646-66-3)

Guidance literature:

In diethyl ether; Ambient temperature;

Reference yield: 44.0%

N,N-dimethyl(chlorophenylmethylene)ammonium chloride (2397-26-4) + t-butylchloromethylenedimethylammonium chloride (70310-50-8) → 1H-3,5-di-phenyl-1,2,4-diazaphosphole (93646-66-3) + 1H-3,5-di-tert-butyl-1,2,4-diazaphosphole (93714-94-4) + 1H-3-phenyl-5-tert-butyl-1,2,4-diazaphosphole (108592-78-5)

Guidance literature:

N,N-dimethyl(chlorophenylmethylene)ammonium chloride; t-butylchloromethylenedimethylammonium chloride; With Tris(trimethylsilyl)phosphane; In acetonitrile; at 20 ℃; for 10h; Inert atmosphere; Schlenk technique; Glovebox;

With hydrazine; In chloroform; at 20 ℃; for 36h; Reflux; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1080/10426507.2014.919580

upstream raw materials:

phenyldiazomethane

chlorophosphane

({[1-Dimethylamino-1-phenyl-meth-(E)-ylidene]-phosphanyl}-phenyl-methylene)-dimethyl-ammonium; chloride

N,N-dimethyl(chlorophenylmethylene)ammonium chloride

Downstream raw materials:

1-Methyl-3,5-diphenyl-1,2,4-diazaphosphol