p-Heptyloxyaniline

Base Information

• Chemical Name: p-Heptyloxyaniline
• CAS No.: 39905-44-7
• Molecular Formula: C13H21NO
• Molecular Weight: 207.316
• Hs Code.: 2922299090
• European Community (EC) Number: 664-182-9
• DSSTox Substance ID: DTXSID40192958
• Nikkaji Number: J308.259H
• Wikidata: Q72481450
• Mol file: 39905-44-7.mol

Synonyms:4-Heptyloxyaniline;39905-44-7;p-Heptyloxyaniline;4-(Heptyloxy)aniline;4-heptoxyaniline;4-n-Heptyloxyaniline;SCHEMBL1143258;DTXSID40192958;GEO-01475;MFCD00038135;STL062134;AKOS000100867;FS-3880;SB77717;CS-0317891;FT-0639589;A824797;W-200346

Chemical Property of p-Heptyloxyaniline

Chemical Property:

• Vapor Pressure: 0.000223mmHg at 25°C
• Melting Point: 44-48 °C(lit.)
• Refractive Index: 1.516
• Boiling Point: 325.9 °C at 760 mmHg
• Flash Point: 145 °C
• PSA: 35.25000
• Density: 0.965g/cm³
• LogP: 4.19920
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 207.162314293
• Heavy Atom Count: 15
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

4-Heptyloxyaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)N

Technology Process of p-Heptyloxyaniline

There total 18 articles about p-Heptyloxyaniline 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: 88.0%

1-(heptyloxy)-4-nitrobenzene (13565-36-1) → 4-heptyloxyaniline (39905-44-7)

Guidance literature:

With hydrazine hydrate; In methanol; for 1h; Reflux;

DOI:10.14233/ajchem.2014.17083

Reference yield: 82.0%

4-Heptyloxyacetanilide (55792-60-4) → 4-heptyloxyaniline (39905-44-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 12h; Reflux;

DOI:10.1016/j.molstruc.2011.06.027

Reference yield: 80.0%

n-heptan1ol (111-70-6) + p-aminoiodobenzene (540-37-4) → 4-heptyloxyaniline (39905-44-7)

Guidance literature:

With caesium carbonate; [Cu8(S2P(OiPr)2)6(μ₈-Cl)][PF6]; at 110 ℃; for 11h;

DOI:10.1021/jo048761y

upstream raw materials:

1-Bromoheptane

N-(4-hydroxyphenyl)formamide

1-(heptyloxy)-4-nitrobenzene

4-Heptyloxyacetanilide

Downstream raw materials:

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

C₂₈H₄₁NO₂

1,3-Bis(3-((4-heptyloxyphenylimino)methyl)phenoxy)-propan-2-ol

1,3-Bis(4-((4-heptyloxyphenylimino)methyl)phenoxy)-propan-2-ol