1,3-Bis-(p-nitrophenoxy)propane

Base Information

• Chemical Name: 1,3-Bis-(p-nitrophenoxy)propane
• CAS No.: 3722-79-0
• Molecular Formula: C15H14N2O6
• Molecular Weight: 318.286
• European Community (EC) Number: 653-243-5
• NSC Number: 82953
• DSSTox Substance ID: DTXSID20292465
• Nikkaji Number: J516.348J
• Wikidata: Q82030779

Synonyms:1,3-Bis-(p-nitrophenoxy)propane;3722-79-0;1-Nitro-4-[3-(4-nitrophenoxy)propoxy]benzene;1,3-Bis(4-nitrophenoxy)propane;NSC 82953;NSC82953;Maybridge1_005919;NCIOpen2_009132;SCHEMBL9570575;1,3-bis(p-nitrophenoxy)propane;HMS558F01;CCG-730;DTXSID20292465;NSC-82953;Propane, 1,3-bis(p-nitrophenoxy)-;RDR 01899;AKOS024334081;AB00082897-01;1,1'-[1,3-Propanediylbis[oxy]bis[4-nitrobenzene];SR-01000642681-1

Chemical Property of 1,3-Bis-(p-nitrophenoxy)propane

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 318.08518617
• Heavy Atom Count: 23
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCOC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1,3-Bis-(p-nitrophenoxy)propane

There total 7 articles about 1,3-Bis-(p-nitrophenoxy)propane 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-chlorobenzonitrile (100-00-5) + trimethyleneglycol (504-63-2) → 1-nitro-4-(3-(4-nitrophenoxy)propoxy)benzene (3722-79-0)

Guidance literature:

With urea; zinc(II) chloride; In neat (no solvent); at 80 ℃; for 3.5h; Green chemistry;

Reference yield: 80.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1,3-dibromo-propane (109-64-8) → 1-nitro-4-(3-(4-nitrophenoxy)propoxy)benzene (3722-79-0)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 48h; Heating;

DOI:10.1016/j.tet.2005.03.064

Reference yield:

potassium 4-nitrophenolate (1124-31-8) + 1,3-dibromo-propane (109-64-8) → 1-nitro-4-(3-(4-nitrophenoxy)propoxy)benzene (3722-79-0)

Guidance literature:

With ethylene glycol;

DOI:10.1021/ja01140a521

upstream raw materials:

4-nitro-phenol

1,3-dibromo-propane

potassium 4-nitrophenolate

4-nitrophenol sodium salt

Downstream raw materials:

1,3-Bis[p-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]propane

propamidine

1,3-bis(4-cyanophenoxy)propane

1,3-bis-(4-isocyanato-phenoxy)-propane

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