4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline

Base Information

• Chemical Name: 4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline
• CAS No.: 172701-67-6
• Molecular Formula: C21H19Cl2N7O2
• Molecular Weight: 472.3273
• Nikkaji Number: J692.161B
• Mol file: 172701-67-6.mol

Synonyms:172701-67-6;4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline;Benzenamine, 4-((3-(5-(chloromethyl)-1,3,4-oxadiazol-2-yl)-1-(3-chlorophenyl)-4-methoxy-1H-pyrazol-5-yl)azo)-N,N-dimethyl-;C21H19Cl2N7O2;CNFKQZVVXKSUQZ-UHFFFAOYSA-N;C21-H19-Cl2-N7-O2;LS-28191;5-[1-(3-Chlorophenyl)-4-methoxy-5-[4-(dimethylamino)phenyl]azo-1H-pyrazol-3-yl]-2-chloromethyl-1,3,4-oxadiazole

Chemical Property of 4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline

Chemical Property:

• Vapor Pressure: 1.91E-18mmHg at 25°C
• Boiling Point: 681.8°Cat760mmHg
• Flash Point: 366.2°C
• PSA: 93.93000
• Density: 1.42g/cm³
• LogP: 5.80450
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 471.0977283
• Heavy Atom Count: 32
• Complexity: 623

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=C(C(=NN2C3=CC(=CC=C3)Cl)C4=NN=C(O4)CCl)OC

Technology Process of 4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline

There total 4 articles about 4-[[5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]diazenyl]-N,N-dimethylaniline 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: 43.0%

1-(3-Chloro-phenyl)-5-(4-dimethylamino-phenylazo)-4-methoxy-1H-pyrazole-3-carboxylic acid N'-(2-chloro-acetyl)-hydrazide → {4-[5-(5-Chloromethyl-[1,3,4]oxadiazol-2-yl)-2-(3-chloro-phenyl)-4-methoxy-2H-pyrazol-3-ylazo]-phenyl}-dimethyl-amine (172701-67-6)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 4h;

Reference yield:

1-(3-Chloro-phenyl)-5-(4-dimethylamino-phenylazo)-4-methoxy-1H-pyrazole-3-carboxylic acid ethyl ester (172701-49-4) → {4-[5-(5-Chloromethyl-[1,3,4]oxadiazol-2-yl)-2-(3-chloro-phenyl)-4-methoxy-2H-pyrazol-3-ylazo]-phenyl}-dimethyl-amine (172701-67-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 66 percent / hydrazine hydrate / ethanol / 8 h / Heating

2: 70 percent / 7 h / 80 °C

3: 43 percent / POCl₃ / 4 h / 80 °C

With hydrazine hydrate; trichlorophosphate; In ethanol;

Reference yield:

1-(3-Chloro-phenyl)-5-(4-dimethylamino-phenylazo)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester → {4-[5-(5-Chloromethyl-[1,3,4]oxadiazol-2-yl)-2-(3-chloro-phenyl)-4-methoxy-2H-pyrazol-3-ylazo]-phenyl}-dimethyl-amine (172701-67-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 42 percent / K₂CO₃ / acetone / 12 h / Heating

2: 66 percent / hydrazine hydrate / ethanol / 8 h / Heating

3: 70 percent / 7 h / 80 °C

4: 43 percent / POCl₃ / 4 h / 80 °C

With potassium carbonate; hydrazine hydrate; trichlorophosphate; In ethanol; acetone;

upstream raw materials:

1-(3-Chloro-phenyl)-5-(4-dimethylamino-phenylazo)-4-methoxy-1H-pyrazole-3-carboxylic acid hydrazide

1-(3-Chloro-phenyl)-5-(4-dimethylamino-phenylazo)-4-methoxy-1H-pyrazole-3-carboxylic acid ethyl ester