Rivaroxaban impurity 46

Base Information

• Chemical Name: Rivaroxaban impurity 46
• CAS No.: 73311-47-4
• Molecular Formula: C₂₁H₁₅Cl₃N₂
• Molecular Weight: 401.723
• DSSTox Substance ID: DTXSID401132995

Synonyms:RIVAROXABAN IMPURITY 46;73311-47-4;DTXSID401132995;[N(E),N'(E)]-1-(4-Chlorophenyl)-N,N'-bis[(4-chlorophenyl)methylene]methanediamine;Methanediamine, 1-(4-chlorophenyl)-N,N'-bis[(4-chlorophenyl)methylene]-, [N(E),N'(E)]-;Methanediamine,1-(4-chlorophenyl)-N,N'-bis[(4-chlorophenyl)methylene]-,[N(E),N'(E)]-

Chemical Property of Rivaroxaban impurity 46

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 400.030082
• Heavy Atom Count: 26
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NC(C2=CC=C(C=C2)Cl)N=CC3=CC=C(C=C3)Cl)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=N/C(/N=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl

Technology Process of Rivaroxaban impurity 46

There total 1 articles about Rivaroxaban impurity 46 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: 90.0%

4-chlorobenzaldehyde (104-88-1) → (4-chlorophenyl)-N,N-bis[(E)-(4-chlorophenyl)methylidene]methanediamine (73311-47-4)

Guidance literature:

With lithium perchlorate; 1,1,1,3,3,3-hexamethyl-disilazane; at 50 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2004.10.092

Reference yield: 91.0%

(4-chlorophenyl)-N,N-bis[(E)-(4-chlorophenyl)methylidene]methanediamine (73311-47-4) + 1,3-diphenylpropanedione (120-46-7,61346-73-4) → 2-((4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-meth-(E)-ylidene]-amino}-methyl)-1,3-diphenyl-propane-1,3-dione (91357-40-3)

Guidance literature:

With ammonium acetate; In methanol; for 3h; Ambient temperature;

DOI:10.1055/s-1984-30800

Reference yield: 73.0%

(4-chlorophenyl)-N,N-bis[(E)-(4-chlorophenyl)methylidene]methanediamine (73311-47-4) + inden-1-one (83-33-0) → 4-chlorobenzaldehyde (104-88-1) + 1H-Indeno<1,2-f>-3,6a-methano-2,4,6,12-tetrakis<4-chlorophenyl>-2,3,4,5,6,6a-hexahydro-1,3,5-triazocine

Guidance literature:

With ammonium acetate; In methanol; for 19h; Ambient temperature;

DOI:10.1055/s-1982-30076

upstream raw materials:

4-chlorobenzaldehyde

Downstream raw materials:

4-Chlor-N-(4-chlorbenzyliden)-α-methoxybenzylamin

C₂₁H₁₇ClN₂O₂

2,4,6-Tris-(4-chloro-phenyl)-[1,3,5]dithiazinane

4-chlorobenzaldehyde

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