p-Nitrophenyl heptyl ether

Base Information

• Chemical Name: p-Nitrophenyl heptyl ether
• CAS No.: 13565-36-1
• Molecular Formula: C13H19NO3
• Molecular Weight: 237.299
• Hs Code.: 2909309090
• European Community (EC) Number: 652-118-2
• DSSTox Substance ID: DTXSID20159483
• Nikkaji Number: J208.577A
• Mol file: 13565-36-1.mol

Synonyms:p-Nitrophenyl heptyl ether;13565-36-1;1-heptoxy-4-nitrobenzene;1-Heptyloxy-4-nitrobenzene;1-(Heptyloxy)-4-nitrobenzene;p-Heptyloxynitrobenzene;Heptyl 4-nitrophenyl ether;4-N-Heptyloxynitrobenzene;1-N-HEPTYLOXY-4-NITROBENZENE;Benzene, 1-(heptyloxy)-4-nitro-;p-n-Heptyloxynitrobenzene;4-HEPTYLOXYNITROBENZENE;SCHEMBL3332201;DTXSID20159483;1-(Heptyloxy)-4-nitrobenzene #;4-heptyloxynitrobenzenedisc 6/01;AVDKYVSWJDZALX-UHFFFAOYSA-N;MFCD00024692;AKOS015839941;CS-0445430;FT-0636919;H0435;T71735;N-(2-HYDROXYETHYL)ETHYLENEDIAMINE-N,N,N-TRIACETICACIDTRISODIUMSALT

Chemical Property of p-Nitrophenyl heptyl ether

Chemical Property:

• Vapor Pressure: 8.02E-05mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 352 °C at 760 mmHg
• Flash Point: 140.1 °C
• PSA: 55.05000
• Density: 1.057 g/cm³
• LogP: 4.46720
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 207

Purity/Quality:

98% ^*data from raw suppliers

1-Heptyloxy-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of p-Nitrophenyl heptyl ether

There total 7 articles about p-Nitrophenyl heptyl ether 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: 80.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Bromoheptane (629-04-9) → 1-(heptyloxy)-4-nitrobenzene (13565-36-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 6h;

DOI:10.1002/cmdc.201700706

Reference yield: 73.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Iodoheptane (4282-40-0) → 1-(heptyloxy)-4-nitrobenzene (13565-36-1)

Guidance literature:

With potassium carbonate; In acetonitrile; for 24h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201811192

Reference yield: 53.0%

tetraheptylammonium bromide (4368-51-8) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(heptyloxy)-4-nitrobenzene (13565-36-1)

Guidance literature:

With water; copper(II) acetate monohydrate; caesium carbonate; Triphenylphosphine oxide; at 145 ℃; Inert atmosphere;

DOI:10.1002/cjoc.201090383

upstream raw materials:

1-Bromoheptane

potassium 4-nitrophenolate

4-nitro-phenol

p-nitrobenzene iodide

Downstream raw materials:

4,4'-di-heptyloxyazoxybenzene

2-bromo-N-[4-(heptyloxy)phenyl]acetamide

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

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

Refernces

• 1、 Huang, Chiung-Cheng,Hsu, Ching-Chung,Chen, Li-Wen,Cheng, Yu-Lun. "The effect of position of (S)-2-octyloxy tail on the formation of frustrated blue phase and antiferroelectric phase in Schiff base liquid crystals". . p. 9343 - 9351. Retrieved 2014.
• 2、 Lv, Zhuo,Song, Chengcheng,Niu, Youhong,Li, Qin,Ye, Xin-Shan. "Synthesis of N-Substituted Iminosugar Derivatives and Evaluation of Their Immunosuppressive Activities". supporting information. p. 338 - 351. Retrieved 2018/02/27.