1-(2-Nitrophenyl)pentane-2,4-dione

Base Information

Chemical Name:1-(2-Nitrophenyl)pentane-2,4-dione
CAS No.:61417-31-0
Molecular Formula:C11H11NO4
Molecular Weight:221.20900
Hs Code.:
DSSTox Substance ID:DTXSID20492302
Wikidata:Q82338079

Synonyms:1-(2-Nitrophenyl)pentane-2,4-dione;61417-31-0;DTXSID20492302

Suppliers and Price of 1-(2-Nitrophenyl)pentane-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(2-Nitrophenyl)pentane-2,4-dione

Chemical Property:

PSA：79.96000
LogP:2.20870
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.06880783
Heavy Atom Count:16
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)CC(=O)CC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 1-(2-Nitrophenyl)pentane-2,4-dione

There total 6 articles about 1-(2-Nitrophenyl)pentane-2,4-dione 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:

: 3740-52-1
2-(2-nitrophenyl)acetic acid

: 61417-31-0
1-(2-nitrophenyl)pentane-2,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide; thionyl chloride / chloroform / 40 °C / Inert atmosphere

2: sodium hydride / tetrahydrofuran / 3 h / 0 - 60 °C / Inert atmosphere

3: trifluoroacetic acid / dichloromethane / 0.17 h / 20 °C

With thionyl chloride; sodium hydride; N,N-dimethyl-formamide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; chloroform;
DOI:10.1021/ol5033865

Reference yield:

: 22751-23-1
(2-nitrophenyl)acetyl chloride

: 61417-31-0
1-(2-nitrophenyl)pentane-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / 3 h / 0 - 60 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 0.17 h / 20 °C

With sodium hydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ol5033865