4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one

Base Information

Chemical Name:4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one
CAS No.:61196-95-0
Molecular Formula:C17H17N3O5
Molecular Weight:343.33400
Hs Code.:
DSSTox Substance ID:DTXSID60504630

Synonyms:61196-95-0;SCHEMBL11863683;DTXSID60504630;BRMMDPWNKOSGNV-UHFFFAOYSA-N;4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one;4-methyl-4,4'-dinitro-3-(4-pyridyl)-valerophenone

Suppliers and Price of 4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one

Chemical Property:

PSA：121.60000
LogP:4.44810
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:343.11682065
Heavy Atom Count:25
Complexity:497

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-one

There total 4 articles about 4-Methyl-4-nitro-1-(4-nitrophenyl)-3-(pyridin-4-yl)pentan-1-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: 51.0%

: 61196-75-6
4'-Nitro-3-(4-pyridyl)acrylophenon

: 79-46-9
2-nitropropane

: 61196-95-0
4-Methyl-4,4'-dinitro-3-(4-pyridyl)valerophenon

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; water; for 8h;
DOI:10.1002/hlca.19800630310

Reference yield:

: 872-85-5
pyridine-4-carbaldehyde

: 61196-95-0
4-Methyl-4,4'-dinitro-3-(4-pyridyl)valerophenon

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / 6 percent NaOH in H₂O/CH₃OH / H₂O / 8 h / 70 °C

2: 51 percent / 40 percent benzyltrimethylammoniumhydroxide in MeOH / H₂O; dioxane / 8 h

With methanol; sodium hydroxide; N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; water;
DOI:10.1002/hlca.19800630310

Reference yield:

: 100-19-6
(4-nitrophenyl)ethanone

: 61196-95-0
4-Methyl-4,4'-dinitro-3-(4-pyridyl)valerophenon

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / 6 percent NaOH in H₂O/CH₃OH / H₂O / 8 h / 70 °C

2: 51 percent / 40 percent benzyltrimethylammoniumhydroxide in MeOH / H₂O; dioxane / 8 h

With methanol; sodium hydroxide; N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; water;
DOI:10.1002/hlca.19800630310