Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester

Base Information

• Chemical Name: Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester
• CAS No.: 75131-49-6
• Molecular Formula: C₁₈H₁₇ClF₃N₃O₅
• Molecular Weight: 447.798
• DSSTox Substance ID: DTXSID00226107
• Wikidata: Q83105402

Synonyms:Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester;75131-49-6;C18H17ClF3N3O5;DTXSID00226107;C18-H17-Cl-F3-N3-O5

Chemical Property of Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester

Chemical Property:

• Density: 1.421g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 447.0808828
• Heavy Atom Count: 30
• Complexity: 578

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Technology Process of Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester

There total 2 articles about Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, butyl ester 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:

(2'-chloro-4'-trifluoromethylphenoxy)-3,4-dinitrobenzene (71980-08-0) → N'-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenyl]-hydrazinecarboxylic acid butyl ester (75131-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate

2: pyridine

With pyridine; hydrazine hydrate;

Reference yield:

carbonochloridic acid, butyl ester (592-34-7) + 2-chloro-4-trifluoromethyl-3'-hydrazino-4'-nitrodiphenyl ether (75131-14-5) → N'-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenyl]-hydrazinecarboxylic acid butyl ester (75131-49-6)

Guidance literature:

With pyridine;

upstream raw materials:

carbonochloridic acid, butyl ester

2-chloro-4-trifluoromethyl-3'-hydrazino-4'-nitrodiphenyl ether

(2'-chloro-4'-trifluoromethylphenoxy)-3,4-dinitrobenzene

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