Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-

Base Information

• Chemical Name: Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-
• CAS No.: 33956-01-3
• Molecular Formula: C36H52 Cl N3 O3
• Molecular Weight: 610.28
• European Community (EC) Number: 251-760-7
• DSSTox Substance ID: DTXSID60865697
• Nikkaji Number: J37.775I
• Mol file: 33956-01-3.mol

Synonyms:33956-01-3;EINECS 251-760-7;Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-;N-(1-(6-Chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide;Butanamide, N-(1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)-2-(3-pentadecylphenoxy)-;C36H52ClN3O3;SCHEMBL8168472;DTXSID60865697;C36-H52-Cl-N3-O3;1-(2-Chloro-4,6-dimethylphenyl)-3-[2-(3-pentadecylphenoxy)butanoylamino]-2-pyrazolin-5-one;Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl) -4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3 -pentadecylphenoxy)-

Chemical Property of Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 8.80±0.20(Predicted)
• Flash Point: °C
• PSA: 71.00000
• Density: 1.1g/cm³
• LogP: 9.50600
• XLogP3: 12.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 609.3697202
• Heavy Atom Count: 43
• Complexity: 852

Purity/Quality:

98%Min ^*data from raw suppliers

N-(1-(6-CHLORO-2,4-XYLYL)-5-OXO-2-PYRAZOLIN-3-YL)-2-(3-PENTADECYLPHENOXY)BUTYRAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C

Technology Process of Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-

There total 1 articles about Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)- 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:

→ N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide (33956-01-3)

Guidance literature:

entspr.Aminopyrazolon, entspr.Butyrylchlorid;

Reference yield: 80.0%

N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide (33956-01-3) → N-[4,4-Dichloro-1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide (99378-17-3)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; In acetic acid; ethyl acetate; at 20 ℃; for 2h;

DOI:10.1055/s-1985-31185

Reference yield:

N-[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide (33956-01-3) → N-[4-Chloro-1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide (99378-18-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / 1,3-dichloro-5,5-dimethylhydantoine / acetic acid; ethyl acetate / 2 h / 20 °C

2: 1.) ascorbic acid, triethylamine, 2.) hydrochloric acid / 1.) methanol, 30 deg C, 15 min.

With hydrogenchloride; 1,3-dichloro-5,5-dimethylhydantoin; triethylamine; ascorbic acid; In acetic acid; ethyl acetate;

DOI:10.1055/s-1985-31185

Downstream raw materials:

N-[4,4-Dichloro-1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide

N-[4-Chloro-1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-2-(3-pentadecyl-phenoxy)-butyramide

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