Benzenamine, 4-(octyloxy)-

Base Information

• Chemical Name: Benzenamine, 4-(octyloxy)-
• CAS No.: 39905-45-8
• Molecular Formula: C14H23NO
• Molecular Weight: 221.343
• Hs Code.: 2922299090
• European Community (EC) Number: 627-407-1
• DSSTox Substance ID: DTXSID3068203
• Nikkaji Number: J422.410H
• Wikidata: Q81994913
• ChEMBL ID: CHEMBL3277156
• Mol file: 39905-45-8.mol

Synonyms:4-Octyloxyaniline;39905-45-8;4-(Octyloxy)aniline;Benzenamine, 4-(octyloxy)-;4-octoxyaniline;p-Octyloxyaniline;4-n-octyloxyaniline;MFCD00025333;4-(octyloxy)benzenamine;4-(Octyloxy)aniline, 98%;SCHEMBL1312330;CHEMBL3277156;DTXSID3068203;GEO-02062;AKOS000101071;AS-46687;CS-0204604;FT-0619332;E10188;W-200347

Chemical Property of Benzenamine, 4-(octyloxy)-

Chemical Property:

• Appearance/Colour: brown crystalline low melting solid
• Vapor Pressure: 8.09E-05mmHg at 25°C
• Melting Point: 35-39oC(lit.)
• Refractive Index: 1.5280 (estimate)
• Boiling Point: 341.4°Cat760mmHg
• PKA: 5.24±0.10(Predicted)
• Flash Point: 152.2°C
• PSA: 35.25000
• Density: 0.957g/cm³
• LogP: 4.58930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 221.177964357
• Heavy Atom Count: 16
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Octyloxy)aniline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)N

Technology Process of Benzenamine, 4-(octyloxy)-

There total 21 articles about Benzenamine, 4-(octyloxy)- 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-nitro-4-octyloxybenzene (49562-76-7) → 4-octyloxyaniline (39905-45-8)

Guidance literature:

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

DOI:10.1021/ol060479l

Reference yield: 80.0%

4-(octyloxy)benzamide → 4-octyloxyaniline (39905-45-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Reflux;

DOI:10.1039/c9ra08211e

Reference yield: 77.0%

n-chlorooctane (111-85-3) + 4-amino-phenol (123-30-8) → 4-octyloxyaniline (39905-45-8)

Guidance literature:

With Aliquat 336; sodium hydroxide; at 60 ℃; for 15h; Inert atmosphere;

DOI:10.1039/c1jm00044f

upstream raw materials:

1-nitro-4-octyloxybenzene

n-chlorooctane

4-amino-phenol

N-[4-(octyloxy)phenyl]acetamide

Downstream raw materials:

N,N'-bis(4-octyloxyphenyl)oxaldiimidoyl chloride

(4-Octyloxy-phenyl)-[1-(4-octyloxy-phenyl)-meth-(E)-ylidene]-amine

2-(4-Octyloxy-anilino)-α-naphthochinon

2-Brom-3-(4-octyloxy-anilino)-α-naphthochinon

Refernces

• 1、 Zhong, Ze,Dai, Yanfeng,Ma, Dongge,Wang, Zhi Yuan. "Facile synthesis of organo-soluble surface-grafted all-single-layer graphene oxide as hole-injecting buffer material in organic light-emitting diodes". . p. 6040 - 6045. Retrieved 2011.
• 2、 Liu, Zhipeng,Liu, Yi,Qi, Fen,Yan, Hui,Jiang, Zhiyong,Chen, Yuncong. "Flexible π-Conjugated 2,5-Diarylamino-Terephthalates: A New Class of Mechanochromic Luminophores with Tunable Aggregation States". supporting information. p. 14963 - 14968. Retrieved 2020/10/20.
• 3、 ?a?lar, Fatma P?nar,Akda?-K?l??, Huriye,Eran, Belk?z Bilgin,Ocak, Hale. "Chiral polymorphism in new imine based rod-like liquid crystals". . . Retrieved 2020/07/06.