3-[(E)-[(4-chlorophenyl)methylidene]amino]-1-[(Z)-[(4-chlorophenyl)methylidene]amino]guanidine

Base Information

• Chemical Name: 3-[(E)-[(4-chlorophenyl)methylidene]amino]-1-[(Z)-[(4-chlorophenyl)methylidene]amino]guanidine
• CAS No.: 25875-51-8
• Molecular Formula: C15H13Cl2N5
• Molecular Weight: 334.208
• European Community (EC) Number: 247-308-3
• Metabolomics Workbench ID: 45098
• NCI Thesaurus Code: C76427
• Wikipedia: Robenidine
• Mol file: 25875-51-8.mol

Synonyms:Cytostat;Hydrochloride, Robenidine;Robenidine;Robenidine Hydrochloride;Robenz;Robenzidene;Robenzidine

Chemical Property of 3-[(E)-[(4-chlorophenyl)methylidene]amino]-1-[(Z)-[(4-chlorophenyl)methylidene]amino]guanidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 289.5°C
• Refractive Index: 1.634
• Boiling Point: 488.119 °C at 760 mmHg
• PKA: 5.75±0.70(Predicted)
• Flash Point: 249.006 °C
• PSA: 72.63000
• Density: 1.33 g/cm³
• LogP: 4.35690
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 333.0548008
• Heavy Atom Count: 22
• Complexity: 408

Purity/Quality:

97% ^*data from raw suppliers

Robenidine hydrochloride VETRANAL?, analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC(=NN=CC2=CC=C(C=C2)Cl)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=N/N/C(=N/N=C\C2=CC=C(C=C2)Cl)/N)Cl
• Uses: Coccidiostat (for poultry). Robenidine is used as a coccidiostat.

Technology Process of 3-[(E)-[(4-chlorophenyl)methylidene]amino]-1-[(Z)-[(4-chlorophenyl)methylidene]amino]guanidine

There total 4 articles about 3-[(E)-[(4-chlorophenyl)methylidene]amino]-1-[(Z)-[(4-chlorophenyl)methylidene]amino]guanidine 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: 95.0%

1,3-diaminoguanidine hydrochloride (36062-19-8,38360-74-6) + 4-chlorobenzaldoxime (3848-36-0) → 1,3-Bis(p-chlorobenzylideneamino)guanidine (25875-51-8)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 50 - 60 ℃; for 1h;

DOI:10.1007/BF00773100

Reference yield: 91.0%

1,3-diaminoguanidine hydrochloride (36062-19-8,38360-74-6) + 4-chlorobenzaldehyde (104-88-1) → 1,3-bis-[(p-chlorobenzylidene)-amino]-guanidine (25875-51-8)

Guidance literature:

In ethanol; at 100 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1002/cmdc.201800463

Reference yield:

→ 1,3-bis-[(p-chlorobenzylidene)-amino]-guanidine (25875-51-8)

Guidance literature:

Diaminoguanidin, entspr. Aldehyd;

upstream raw materials:

1,3-diaminoguanidine hydrochloride

4-chlorobenzaldoxime

4-chlorobenzaldehyde

Downstream raw materials:

C₂₂H₁₅Cl₄N₅O

C₂₄H₂₁Cl₂N₅O

C₂₄H₂₁Cl₂N₅O₂

C₂₂H₁₅BrCl₃N₅O