1-(4-Nitrophenoxy)propan-2-one

Base Information

• Chemical Name: 1-(4-Nitrophenoxy)propan-2-one
• CAS No.: 6698-72-2
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2914700090
• NSC Number: 210318
• DSSTox Substance ID: DTXSID60308872
• Nikkaji Number: J1.253.882K
• Wikidata: Q82056966
• ChEMBL ID: CHEMBL3249560
• Mol file: 6698-72-2.mol

Synonyms:1-(4-nitrophenoxy)propan-2-one;6698-72-2;1-(4-NITROPHENOXY)-2-PROPANONE;NSC 210318;p-nitrophenoxyacetone;NSC210318;4-nitrophenoxyacetone;p-nitrophenoxy acetone;4-[2-oxo-propoxy]nitrobenzene;SCHEMBL6602827;CHEMBL3249560;DTXSID60308872;STL387744;AKOS000368877;AB12119;AT10525;NSC-210318;1-(4-NITRO-PHENOXY)-PROPAN-2-ONE

Chemical Property of 1-(4-Nitrophenoxy)propan-2-one

Chemical Property:

• Vapor Pressure: 7.83E-05mmHg at 25°C
• Boiling Point: 341.8°C at 760 mmHg
• Flash Point: 166.2°C
• PSA: 72.12000
• Density: 1.255g/cm³
• LogP: 2.08580
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-NITROPHENOXY)-2-PROPANONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenoxy)propan-2-one

There total 11 articles about 1-(4-Nitrophenoxy)propan-2-one 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: 97.0%

chloroacetone (78-95-5) + 4-nitrophenol sodium salt (824-78-2) → 1-(4-nitrophenoxy)propan-2-one (6698-72-2)

Guidance literature:

With Amberlite IRA-400(Cl^(1-)) resin; for 8h; 1.) H₂O; 2.) acetone;

Reference yield: 91.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + acetone (67-64-1) → 1-(4-nitrophenoxy)propan-2-one (6698-72-2)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; at 60 ℃; for 8h; Reagent/catalyst; Solvent;

DOI:10.1016/j.tetlet.2017.11.043

Reference yield: 90.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + chloroacetone (78-95-5) → 1-(4-nitrophenoxy)propan-2-one (6698-72-2)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Reflux;

DOI:10.1016/j.ejmech.2017.01.006

upstream raw materials:

4-nitro-phenol

chloroacetone

4-(4-nitrophenoxy)butanoic acid

potassium 4-nitrophenolate

Downstream raw materials:

4-nitro-phenol

1-(4-aminophenoxy)propan-2-one hydrochloride

1-(4-(6,7-dimethoxy-2-methylquinolin-3-yloxy)phenyl)-3-p-tolylurea

1-(4-(6,7-dimethoxy-2-methylquinolin-3-yloxy)phenyl)-3-phenylurea

Refernces

• 1、 El-Gamal, Mohammed I.,Khan, Mohammad Ashrafuddin,Tarazi, Hamadeh,Abdel-Maksoud, Mohammed S.,Gamal El-Din, Mahmoud M.,Yoo, Kyung Ho,Oh, Chang-Hyun. "Design and synthesis of new RAF kinase-inhibiting antiproliferative quinoline derivatives. Part 2: Diarylurea derivatives". . p. 413 - 423. Retrieved 2017/01/13.
• 2、 Dong, Qizhi,Li, Ningbo,Qiu, Renhua,Wang, Jinying,Guo, Cancheng,Xu, Xinhua. "Silver-containing microemulsion as a high-efficient and recyclable catalytic system for hydration of alkynes". . p. 122 - 127. Retrieved 2015/10/12.