4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide

Base Information

• Chemical Name: 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide
• CAS No.: 63134-29-2
• Molecular Formula: C26H35ClN2O4
• Molecular Weight: 475.028
• Hs Code.: 2924299090
• European Community (EC) Number: 263-918-2
• DSSTox Substance ID: DTXSID7052313
• Nikkaji Number: J38.269H
• Wikidata: Q72446987
• ChEMBL ID: CHEMBL528274
• Mol file: 63134-29-2.mol

Synonyms:63134-29-2;N-(4-Chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide;4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide;TCMDC-125721;4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide;EINECS 263-918-2;C26H35ClN2O4;4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butanamide;Butanamide, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-chloro-3-nitrophenyl)-;4-[2,4-bis(tert-pentyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butyramide;4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide;Butanamide, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)-;CHEMBL528274;SCHEMBL9491257;DTXSID7052313;STK325982;AKOS001484959;4-(2,4-BIS-(1,1-DIMETHYL-PROPYL)-PHENOXY)-N-(4-CHLORO-3-NITRO-PHENYL)-BUTYRAMIDE;LS-45401;CS-0367889;FT-0654214;SR-01000404208;SR-01000404208-1;N-(4-Chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butyramide

Chemical Property of 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide

Chemical Property:

• Vapor Pressure: 1.04E-14mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 607.6 °C at 760 mmHg
• Flash Point: 321.3 °C
• PSA: 84.15000
• Density: 1.147 g/cm³
• LogP: 8.01730
• Storage Temp.: 2-8°C
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 474.2285353
• Heavy Atom Count: 33
• Complexity: 649

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)CC

Technology Process of 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide

There total 1 articles about 4-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-chloro-3-nitrophenyl)butyramide 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:

4-Chloro-3-nitroaniline (635-22-3) + 4-(2,4-di-tert-pentyl-phenoxy)-butyryl chloride (50772-29-7) → N-(4-chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide (63134-29-2)

Guidance literature:

With sodium acetate; In acetic acid;

Reference yield: 95.0%

N-(4-chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide (63134-29-2) → N-(3-amino-4-chlorophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide (51461-11-1)

Guidance literature:

With hydrogen; triethylamine; Pt/Al₂O₃; In isopropyl alcohol; toluene; at 60 - 90 ℃; under 15001.2 - 30002.4 Torr;

DOI:10.1023/A:1012491515950

Reference yield:

N-(4-chloro-3-nitrophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide (63134-29-2) → N-(5-{[4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl]amino}-2-chlorophenyl)-4,4-dimethyl-3-oxovaleramide (26110-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / nickel

2: xylene / Heating

With hydrogen; nickel; In xylene;

upstream raw materials:

4-Chloro-3-nitroaniline

4-(2,4-di-tert-pentyl-phenoxy)-butyryl chloride

Downstream raw materials:

N-(3-amino-4-chlorophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide

N-(5-{[4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl]amino}-2-chlorophenyl)-4,4-dimethyl-3-oxovaleramide