Guanidine, N,N-diethyl-N',N''-diphenyl-

Base Information

• Chemical Name: Guanidine, N,N-diethyl-N',N''-diphenyl-
• CAS No.: 101577-97-3
• Molecular Formula: C₁₇H₂₁N₃
• Molecular Weight: 267.374
• DSSTox Substance ID: DTXSID60387980
• Nikkaji Number: J755.864C
• Mol file: 101577-97-3.mol

Synonyms:101577-97-3;Guanidine, N,N-diethyl-N',N''-diphenyl-;1,1-diethyl-2,3-diphenylguanidine;DTXSID60387980;HMS1594P21;AKOS001020958;AKOS002161846;AKOS030660535;N,N-diethyl-N',N''-diphenylguanidine;(E)-1,1-diethyl-2,3-diphenylguanidine;SR-01000278550;SR-01000278550-1;Z56814595;F0856-0019

Chemical Property of Guanidine, N,N-diethyl-N',N''-diphenyl-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 267.173547683
• Heavy Atom Count: 20
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=NC1=CC=CC=C1)NC2=CC=CC=C2

Technology Process of Guanidine, N,N-diethyl-N',N''-diphenyl-

There total 1 articles about Guanidine, N,N-diethyl-N',N''-diphenyl- 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:

1-phenyl-3,3-diethylurea (1014-72-8) + aniline (62-53-3) → N,N-dimethyl-N′,N″-diphenylguanidine (101577-97-3)

Guidance literature:

Multistep reaction; (i) POCl₃, (ii) /BRN= 605631/;

Reference yield: 20.0%

tetrachlorobis(tetrahydrofuran)titanium(IV) (31011-57-1,112925-19-6,112925-18-5) + N,N-dimethyl-N′,N″-diphenylguanidine (101577-97-3) → [Ti(η2-(NPh)2CNEt2)2Cl2]

Guidance literature:

With n-butyllithium; In diethyl ether; under N2; addn. of 2.5 M n-BuLi soln. to soln. of H(NPh)2CNEt2 Et2O at -78°C, stirring for 10 min, warming to room temp., cooling to -78°C, addn. to suspn. of TiCl4(THF)2 in Et2O at -78.degree, warmingto room temp., stirring for 18 h; evapn. under vac., dissolving solid in toluene, filtration through Celite, crystn. at -30°C, re-filtration of soln. through Celite, crystn. at 5°C for 3 weeks, vac. drying; elem. anal.;

DOI:10.1039/b001992p

Reference yield:

N,N-dimethyl-N′,N″-diphenylguanidine (101577-97-3) → lithium N,N-diethyl-N′,N″-diphenylguanidinate

Guidance literature:

With methyllithium; In diethyl ether; at -40 - 20 ℃; for 1h;

DOI:10.1021/ic302570s

upstream raw materials:

1-phenyl-3,3-diethylurea

aniline

Downstream raw materials:

(1,5-cyclooctadiene)(N,N-diethyl-N′,N″-diphenylguanidinato)iridium(I)