1,2-Epoxy-3-(p-nitrophenoxy)propane

Base Information

• Chemical Name: 1,2-Epoxy-3-(p-nitrophenoxy)propane
• CAS No.: 5255-75-4
• Deprecated CAS: 125228-75-3
• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.175
• Hs Code.: 29109000
• European Community (EC) Number: 226-057-3
• NSC Number: 1733
• UNII: 96071991U0
• DSSTox Substance ID: DTXSID60863512
• Nikkaji Number: J39.054B
• Wikidata: Q27105305
• Metabolomics Workbench ID: 52813
• ChEMBL ID: CHEMBL33775
• Mol file: 5255-75-4.mol

Synonyms:1,2-epoxy-3-(p-nitrophenoxy)propane;EPNP;glycidyl 4-nitrophenyl ether

Chemical Property of 1,2-Epoxy-3-(p-nitrophenoxy)propane

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 8.16E-05mmHg at 25°C
• Melting Point: 54-55 °C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 351.8°Cat760mmHg
• Flash Point: 177.2°C
• PSA: 67.58000
• Density: 1.34g/cm³
• LogP: 1.89560
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-Nitrophenoxy)methyl]oxirane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1,2-Epoxy-3-(p-nitrophenoxy)propane

There total 2 articles about 1,2-Epoxy-3-(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: 83.0%

(2S)-(+)-glycidyl 3-nitrobenzenesulfonate (115314-14-2,115314-17-5,118712-55-3) + 4-nitrophenol sodium salt (824-78-2) → (S)-(+)-2-<(4-nitrophenoxy)methyl>oxirane (5255-75-4,125228-75-3,125279-81-4,125279-82-5)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jm00115a010

Reference yield: 77.0%

glycidyl nosylate (152333-94-3) + 4-nitrophenol sodium salt (824-78-2) → C9H9NO4 (5255-75-4,125228-75-3,125279-81-4,125279-82-5)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jm00115a010

Reference yield: 85.0%

2-<(methylamino)methyl>quinoline (136727-11-2) + C9H9NO4 (5255-75-4,125228-75-3,125279-81-4,125279-82-5) → (R)-1-[Methyl(2-quinolinylmethyl)amino]-3-(4-nitrophenoxy)-2-propanol (137941-96-9)

Guidance literature:

In acetonitrile; Heating;

DOI:10.1021/jm00115a010

upstream raw materials:

(2S)-(+)-glycidyl 3-nitrobenzenesulfonate

4-nitrophenol sodium salt

glycidyl nosylate

Downstream raw materials:

(S)-1-[methyl(2-quinolinylmethyl)amino]-3-(4-nitrophenoxy)-2-propanol

(R)-1-[Methyl(2-quinolinylmethyl)amino]-3-(4-nitrophenoxy)-2-propanol

Refernces