1-[(8-Bromooctyl)oxy]-4-nitrobenzene

Base Information

• Chemical Name: 1-[(8-Bromooctyl)oxy]-4-nitrobenzene
• CAS No.: 88138-53-8
• Molecular Formula: C14H20BrNO3
• Molecular Weight: 330.222
• DSSTox Substance ID: DTXSID70529218
• Nikkaji Number: J832.133G
• Wikidata: Q82399489
• Mol file: 88138-53-8.mol

Synonyms:88138-53-8;1-[(8-BROMOOCTYL)OXY]-4-NITROBENZENE;SCHEMBL17971426;DTXSID70529218;LZLYKMANGJCWHY-UHFFFAOYSA-N;1-(8-Bromooctyloxy)-4-nitrobenzene

Chemical Property of 1-[(8-Bromooctyl)oxy]-4-nitrobenzene

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 329.06266
• Heavy Atom Count: 19
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[(8-Bromooctyl)oxy]-4-nitrobenzene

There total 2 articles about 1-[(8-Bromooctyl)oxy]-4-nitrobenzene 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: 92.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1,8-dibromooctane (4549-32-0) → 1-((8-bromooctyl)oxy)-4-nitrobenzene (88138-53-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃;

DOI:10.1021/acsinfecdis.0c00855

Reference yield:

→ 1-((8-bromooctyl)oxy)-4-nitrobenzene (88138-53-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 4h;

Reference yield: 90.0%

4-piperidone hydrochloride (41979-39-9) + 1-((8-bromooctyl)oxy)-4-nitrobenzene (88138-53-8) → 1-[8-(4-nitrophenoxy)octyl]piperidin-4-one (1223425-95-3)

Guidance literature:

4-piperidone hydrochloride; With potassium carbonate; In water; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

1-((8-bromooctyl)oxy)-4-nitrobenzene; In water; N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/jm901252a

upstream raw materials:

4-nitro-phenol

1,8-dibromooctane

Downstream raw materials:

[8-(4-Nitro-phenoxy)-octyl]-phenyl-amine

1-[8-(4-nitrophenoxy)octyl]piperidin-4-one

5-((4-(8-bromooctyloxy)phenyl)diazenyl)-2-hydroxybenzoic acid

5-((4-(8-azidooctyloxy)phenyl)diazenyl)-2-hydroxybenzoic acid