5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
• CAS No.: 172701-59-6
• Molecular Formula: C₁₈H₁₄ClN₇OS
• Molecular Weight: 411.874
• Nikkaji Number: J692.153A
• Mol file: 172701-59-6.mol

Synonyms:172701-59-6;5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine;1,3,4-Thiadiazol-2-amine, 5-(1-(3-chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-;5-[1-(3-chlorophenyl)-4-methoxy-5-phenyldiazenylpyrazol-3-yl]-1,3,4-thiadiazol-2-amine;5-(1-(3-CHLOROPHENYL)-4-METHOXY-5-(PHENYLAZO)-1H-PYRAZOL-3-YL)-1,3,4-T HIADIAZOL-2-AMINE;C18H14ClN7OS;ILKKHANRRUZWIT-UHFFFAOYSA-N;C18-H14-Cl-N7-O-S;LS-150219;5-[1-(3-Chlorophenyl)-4-methoxy-5-phenylazo-1H-pyrazol-3-yl]-2-amino-1,3,4-thiadiazole

Chemical Property of 5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• Vapor Pressure: 1.95E-17mmHg at 25°C
• Boiling Point: 662.8°C at 760 mmHg
• Flash Point: 354.6°C
• PSA: 132.54000
• Density: 1.53g/cm³
• LogP: 4.98050
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 411.0669070
• Heavy Atom Count: 28
• Complexity: 538

Purity/Quality:

5-(1-(3-CHLOROPHENYL)-4-METHOXY-5-(PHENYLAZO)-1H-PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(N(N=C1C2=NN=C(S2)N)C3=CC(=CC=C3)Cl)N=NC4=CC=CC=C4

Technology Process of 5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine

There total 4 articles about 5-(1-(3-Chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine 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: 86.0%

C18H16ClN7O2S → 5-[1-(3-Chloro-phenyl)-4-methoxy-5-phenylazo-1H-pyrazol-3-yl]-[1,3,4]thiadiazol-2-ylamine (172701-59-6)

Guidance literature:

With sulfuric acid; for 4h; Ambient temperature;

Reference yield:

1-(3-Chloro-phenyl)-4-methoxy-5-phenylazo-1H-pyrazole-3-carboxylic acid hydrazide (172701-53-0) → 5-[1-(3-Chloro-phenyl)-4-methoxy-5-phenylazo-1H-pyrazol-3-yl]-[1,3,4]thiadiazol-2-ylamine (172701-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / conc. HCl / H₂O / 7 h / Heating

2: 86 percent / conc. H₂SO₄ / 4 h / Ambient temperature

With hydrogenchloride; sulfuric acid; In water;

Reference yield:

1-(3-Chloro-phenyl)-4-methoxy-5-phenylazo-1H-pyrazole-3-carboxylic acid ethyl ester (172701-50-7) → 5-[1-(3-Chloro-phenyl)-4-methoxy-5-phenylazo-1H-pyrazol-3-yl]-[1,3,4]thiadiazol-2-ylamine (172701-59-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent / hydrazine hydrate / ethanol / 8 h / Heating

2: 73 percent / conc. HCl / H₂O / 7 h / Heating

3: 86 percent / conc. H₂SO₄ / 4 h / Ambient temperature

With hydrogenchloride; sulfuric acid; hydrazine hydrate; In ethanol; water;

upstream raw materials:

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

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