4-Pentyloxyaniline

Base Information

• Chemical Name: 4-Pentyloxyaniline
• CAS No.: 39905-50-5
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• Hs Code.: 2922299090
• European Community (EC) Number: 254-695-2
• UNII: G4NA6M6YQ3
• DSSTox Substance ID: DTXSID8068204
• Nikkaji Number: J236.716E
• Wikidata: Q81994915
• ChEMBL ID: CHEMBL3277155
• Mol file: 39905-50-5.mol

Synonyms:4-Pentyloxyaniline;39905-50-5;4-(pentyloxy)aniline;4-pentoxyaniline;p-Pentyloxyaniline;Benzenamine, 4-(pentyloxy)-;4-n-pentoxyaniline;4-(Pentyloxy)benzenamine;G4NA6M6YQ3;EINECS 254-695-2;4-pentyloxyphenylamine;p-(pentyloxy)aniline;p-(n-Pentoxy)aniline;Aniline, p-pentyloxy-;p-Aminophenyl pentyl ether;1H-Imidazole-1-aceticacid;UNII-G4NA6M6YQ3;SCHEMBL294772;CHEMBL3277155;DTXSID8068204;MFCD00007867;AKOS000101082;CS-0297663;FT-0639591;EN300-1295512

Chemical Property of 4-Pentyloxyaniline

Chemical Property:

• Vapor Pressure: 0.00164mmHg at 25°C
• Refractive Index: n20/D 1.532(lit.)
• Boiling Point: 294.2°Cat760mmHg
• Flash Point: 130.7°C
• PSA: 35.25000
• Density: 0.986g/cm³
• LogP: 3.41900
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

p-Pentyloxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Pentyloxyaniline

There total 11 articles about 4-Pentyloxyaniline 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: 78.0%

1-nitro-4-(pentyloxy)benzene (63469-11-4) → 4-pentyloxyaniline (39905-50-5)

Guidance literature:

With palladium 10% on activated carbon; hydrazine hydrate;

DOI:10.5012/bkcs.2012.33.5.1647

Reference yield: 68.0%

N-(4-Pentyloxy-phenyl)-acetamide (41240-76-0) → 4-pentyloxyaniline (39905-50-5)

Guidance literature:

With sulfuric acid; In ethanol; Heating;

DOI:10.1016/S0022-328X(97)00254-4

Reference yield:

1-Bromopentane (110-53-2) → 4-pentyloxyaniline (39905-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / 6 h / Heating

2: KOH / ethanol / 12 h / Heating

With potassium hydroxide; In ethanol;

DOI:10.1080/10426500212223

upstream raw materials:

1-Bromopentane

N-(4-hydroxyphenyl)formamide

N-(4-Pentyloxy-phenyl)-acetamide

1-nitro-4-(pentyloxy)benzene

Downstream raw materials:

4-pentyloxy-N-(4-pentyloxy-benzyliden)-aniline

N-(4-pentyloxy-phenyl)-N',N''-di-[2]pyridyl-guanidine

1-isothiocyanato-4-pentyloxy-benzene

4-ethoxy-2-hydroxybenzal-4'-amyloxyaniline