4-(Pentyloxy)-3-(trifluoromethyl)benzenamine

Base Information

• Chemical Name: 4-(Pentyloxy)-3-(trifluoromethyl)benzenamine
• CAS No.: 832099-33-9
• Molecular Formula: C12H16F3NO
• Molecular Weight: 247.26
• DSSTox Substance ID: DTXSID20589741
• Wikidata: Q82483292
• Mol file: 832099-33-9.mol

Synonyms:832099-33-9;4-(pentyloxy)-3-(trifluoromethyl)benzenamine;4-pentoxy-3-(trifluoromethyl)aniline;4-Pentyloxy-3-trifluoromethyl-phenylamine;Benzenamine, 4-(pentyloxy)-3-(trifluoromethyl)-;4-(PENTYLOXY)-3-(TRIFLUOROMETHYL)ANILINE;4-(pentyloxy)-3-(trifluoromethyl) Benzenamine;SCHEMBL3423050;DTXSID20589741;4-pentyloxy-3-trifluoromethyl aniline;AKOS000101422;DB-075908;A1-44004

Chemical Property of 4-(Pentyloxy)-3-(trifluoromethyl)benzenamine

Chemical Property:

• PSA: 35.25000
• LogP: 4.43780
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 247.11839862
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

4-Pentyloxy-3-trifluoromethyl-phenylamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=C(C=C(C=C1)N)C(F)(F)F

Technology Process of 4-(Pentyloxy)-3-(trifluoromethyl)benzenamine

There total 1 articles about 4-(Pentyloxy)-3-(trifluoromethyl)benzenamine 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: 100.0%

4-nitro-1-pentyloxy-2-trifluoromethyl-benzene → 4-pentyloxy-3-trifluoromethylphenylamine (832099-33-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃;

Reference yield:

4-pentyloxy-3-trifluoromethylphenylamine (832099-33-9) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 1-(3-(trifluoromethyl)-4-(pentyloxy)phenyl)thiourea (832099-29-3)

Guidance literature:

4-pentyloxy-3-trifluoromethylphenylamine; 1,1'-Thiocarbonyldiimidazole; In dichloromethane; at 20 ℃; for 2h;

With ammonia; In methanol; dichloromethane; at 20 ℃;

Reference yield:

nicotinoyl isothiocyanate (111430-89-8) + 4-pentyloxy-3-trifluoromethylphenylamine (832099-33-9) → 1-(4-pentyloxy-3-trifluoromethyl-phenyl)-3-(pyridine-3-carbonyl)-thiourea (870142-71-5)

Guidance literature:

In dichloromethane; acetone; at 20 ℃;

Downstream raw materials:

1-(3-(trifluoromethyl)-4-(pentyloxy)phenyl)thiourea

1-(4-pentyloxy-3-trifluoromethyl-phenyl)-3-(pyridine-3-carbonyl)-thiourea

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