4-Hexyloxyaniline

Base Information

• Chemical Name: 4-Hexyloxyaniline
• CAS No.: 39905-57-2
• Molecular Formula: C12H19 N O
• Molecular Weight: 193.289
• Hs Code.: 2922299090
• European Community (EC) Number: 254-696-8
• UNII: VMX449YP3L
• DSSTox Substance ID: DTXSID4022288
• Nikkaji Number: J236.495F
• Wikidata: Q27291911
• ChEMBL ID: CHEMBL3183372
• Mol file: 39905-57-2.mol

Synonyms:4-hexyloxyaniline;HOA

Chemical Property of 4-Hexyloxyaniline

Chemical Property:

• Appearance/Colour: brown Mass
• Vapor Pressure: 0.000401mmHg at 25°C
• Melting Point: 43-45 °C(lit.)
• Refractive Index: 1.4596 (estimate)
• Boiling Point: 316.8 °C at 760 mmHg
• PKA: 5.26±0.10(Predicted)
• Flash Point: 137.8 °C
• PSA: 35.25000
• Density: 0.974 g/cm³
• LogP: 3.80910
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 193.146664230
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

4-(Hexyloxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XnXi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)N
• Uses: 4-(Hexyloxy)aniline was used in the synthesis of 4-hydroxy-4′-hexyloxyazobenzene.

Technology Process of 4-Hexyloxyaniline

There total 16 articles about 4-Hexyloxyaniline 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: 99.0%

1-(hexyloxy)-4-nitrobenzene (15440-98-9) → 4-(n-hexyloxy)aniline (39905-57-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; under 3800 Torr;

DOI:10.1021/ol060479l

Reference yield: 91.0%

N-(4-(hexyloxy)phenyl)acetamide (41240-77-1) → 4-(n-hexyloxy)aniline (39905-57-2)

Guidance literature:

With hydrogenchloride; In methanol; water; for 18h; Reflux;

DOI:10.1002/anie.201410184

Reference yield: 79.0%

1-bromo-hexane (111-25-1) + 4-amino-phenol (123-30-8) → 4-(n-hexyloxy)aniline (39905-57-2)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; potassium carbonate; for 0.0125h; Irradiation; microwave;

DOI:10.1080/00397919808004882

upstream raw materials:

1-(hexyloxy)-4-nitrobenzene

1-bromo-hexane

4-amino-phenol

N-(4-(hexyloxy)phenyl)acetamide

Downstream raw materials:

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

5-(4-hexyloxy-phenyl)-furan-2-carbaldehyde

5-Ethoxy-2-{[(E)-4-hexyloxy-phenylimino]-methyl}-phenol

Benzoic acid 4-{[(E)-4-hexyloxy-phenylimino]-methyl}-phenyl ester

Refernces

• 1、 -. "PHOTORESPONSIVE LOW-MOLECULAR WEIGHT MATERIAL, ADHESIVE, TONER, AND IMAGE FORMING METHOD". Paragraph 0385-0386. . Retrieved 2020/08/30.
• 2、 Agra-Kooijman, De?a M.,Al-Karawi, Muhammed Kareem M.,Bhowmik, Pradip K.,Chang, Anthony,Chen, Si L.,Cortez, Raymond G.,Dizon, Erenz J.,Fisch, Michael R.,Gutierrez, Bryan,Han, Haesook,Ho, Andy,Killarney, Shane T.,Kim, Jongin,Kumar, Satyendra,Mandal, Hari D.,Mendez, Klarissa,Principe, Ronald Carlo G.,Sharpnack, Lewis. "Thermotropic Liquid-Crystalline and Light-Emitting Properties of Bis(4-aalkoxyphenyl) Viologen Bis(triflimide) Salts". . . Retrieved 2020/05/29.