p-Hexadecyloxyaniline

Base Information

• Chemical Name: p-Hexadecyloxyaniline
• CAS No.: 7502-06-9
• Molecular Formula: C22H39 N O
• Molecular Weight: 333.558
• Hs Code.: 2922299090
• European Community (EC) Number: 653-214-7
• NSC Number: 403450
• DSSTox Substance ID: DTXSID60225999
• Nikkaji Number: J1.401.718F
• Wikidata: Q83105230
• Mol file: 7502-06-9.mol

Synonyms:p-Hexadecyloxyaniline;4-n-Hexadecyloxyaniline;7502-06-9;4-(Hexadecyloxy)aniline;4-hexadecoxyaniline;MFCD00025325;NSC403450;SCHEMBL8010734;DTXSID60225999;DETPMDIIFZGDAE-UHFFFAOYSA-N;AKOS015839856;NSC 403450;NSC-403450;SB83288;FT-0636513;3-AMINO-3-(3,5-DIBROMO-2-HYDROXY-PHENYL)-PROPIONICACID

Chemical Property of p-Hexadecyloxyaniline

Chemical Property:

• Vapor Pressure: 1.9E-08mmHg at 25°C
• Melting Point: 59-61°C
• Boiling Point: 454.5°C at 760 mmHg
• Flash Point: 206.6°C
• PSA: 35.25000
• Density: 0.918g/cm³
• LogP: 7.71010
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 333.303164868
• Heavy Atom Count: 24
• Complexity: 248

Purity/Quality:

98%min ^*data from raw suppliers

p-Hexadecyloxyaniline 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N

Technology Process of p-Hexadecyloxyaniline

There total 8 articles about p-Hexadecyloxyaniline 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: 81.0%

4-hexadecyloxy-1-nitrobenzene (102703-33-3) → 4-hexadecyloxyaniline (7502-06-9)

Guidance literature:

With Graphite; hydrazine hydrate; In ethanol; for 48h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2013.12.060

Reference yield:

4-acetaminophenol (103-90-2,8055-08-1) + hexadecanyl bromide (112-82-3) → 4-hexadecyloxyaniline (7502-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; sodium iodide / acetonitrile / 12 h / Reflux

2: water; potassium hydroxide / ethanol / 24 h / Reflux

With water; potassium carbonate; sodium iodide; potassium hydroxide; In ethanol; acetonitrile;

DOI:10.1002/chem.201101925

Reference yield:

acetic acid-(4-hexadecyloxy-anilide) (95808-43-8) → 4-hexadecyloxyaniline (7502-06-9)

Guidance literature:

With hydrogenchloride; In ethanol; for 24h; Heating;

DOI:10.1080/10587250008023867

upstream raw materials:

acetic acid-(4-hexadecyloxy-anilide)

4-hexadecyloxy-1-nitrobenzene

4-acetaminophenol

hexadecanyl bromide

Downstream raw materials:

N,N'-bis-(4-hexadecyloxy-phenyl)-thiourea

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

Furan-2-carboxylic acid 4-{[(E)-4-hexadecyloxy-phenylimino]-methyl}-phenyl ester

4-Hexadecyloxy-benzoic acid 4-{[(E)-4-hexadecyloxy-phenylimino]-methyl}-3-hydroxy-phenyl ester

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