Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide

Base Information

• Chemical Name: Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide
• CAS No.: 126006-79-9
• Molecular Formula: C₂₃H₂₃N₃O₂S
• Molecular Weight: 405.521
• DSSTox Substance ID: DTXSID80155047
• Wikidata: Q83022650
• Mol file: 126006-79-9.mol

Synonyms:((1,1'-Biphenyl)-4-yloxy)acetic acid 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide;Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide;126006-79-9;DTXSID80155047

Chemical Property of Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide

Chemical Property:

• Density: 1.236g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 405.15109816
• Heavy Atom Count: 29
• Complexity: 530

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)C

Technology Process of Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide

There total 3 articles about Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide 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: 80.0%

2,4-dimethylphenylisothiocyanate (39842-01-8) + 2-(biphenyl-4-yloxy)acetic acid hydrazide (84161-08-0) → N1-[2-(biphenyl-4-yloxy)ethanoyl]-N4-(2,4-dimethylphenyl)-thiosemicarbazide (126006-79-9)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1002/jps.2600781206

Reference yield:

4-Phenylphenol (92-69-3) → N1-[2-(biphenyl-4-yloxy)ethanoyl]-N4-(2,4-dimethylphenyl)-thiosemicarbazide (126006-79-9)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / 20 h / Heating

2: hydrzine hydrate / ethanol / 10 h / Heating

3: 80 percent / ethanol / 4 h / Heating

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

DOI:10.1002/jps.2600781206

Reference yield:

ethyl 2-(biphenyl-4-yloxy)acetate (54334-74-6) → N1-[2-(biphenyl-4-yloxy)ethanoyl]-N4-(2,4-dimethylphenyl)-thiosemicarbazide (126006-79-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrzine hydrate / ethanol / 10 h / Heating

2: 80 percent / ethanol / 4 h / Heating

With hydrazine hydrate; In ethanol;

DOI:10.1002/jps.2600781206

upstream raw materials:

2,4-dimethylphenylisothiocyanate

2-(biphenyl-4-yloxy)acetic acid hydrazide

4-Phenylphenol

ethyl 2-(biphenyl-4-yloxy)acetate

Downstream raw materials:

5-[(biphenyl-4-yloxy)methyl]-4-(2,4-dimethylphenyl)-3-mercapto-4H-1,2,4-triazole

5-[(biphenyl-4-yloxy)methyl]-2-(2,4-dimethylphenylamino)-1,3,4-thiadiazole