3-Oxobutyl 3,5-dinitrobenzoate

Base Information

Chemical Name:3-Oxobutyl 3,5-dinitrobenzoate
CAS No.:53782-51-7
Molecular Formula:C11H10N2O7
Molecular Weight:282.21
Hs Code.:
NSC Number:118156
DSSTox Substance ID:DTXSID80297794
Nikkaji Number:J3.654.789H
Wikidata:Q82039178

Synonyms:53782-51-7;3-oxobutyl 3,5-dinitrobenzoate;NSC118156;DTXSID80297794;NSC-118156

Suppliers and Price of 3-Oxobutyl 3,5-dinitrobenzoate

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 5 raw suppliers

Chemical Property of 3-Oxobutyl 3,5-dinitrobenzoate

Chemical Property:

Vapor Pressure:1.77E-08mmHg at 25°C
Boiling Point:455.3°C at 760 mmHg
Flash Point:209.9°C
Density:1.427g/cm³
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:282.04880066
Heavy Atom Count:20
Complexity:390

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Oxobutyl 3,5-dinitrobenzoate

There total 3 articles about 3-Oxobutyl 3,5-dinitrobenzoate 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: 38.0%

: 99-34-3
3,5-dinitrobenzoic acid

: 78-94-4,25038-87-3
methyl vinyl ketone

: 53782-51-7
3-oxobutyl 3,5-dinitrobenzoate

Guidance literature:: methyl vinyl ketone; With L-proline; In neat (no solvent); at 20 ℃; for 0.0833333h;

3,5-dinitrobenzoic acid; In neat (no solvent); at 60 ℃; for 15h;
DOI:10.1055/s-0036-1588172

Reference yield:

: 3,5-Dinitro-benzoic acid 3-methyl-4,4-diphenyl-but-3-enyl ester

: 53782-51-7
3-oxobutyl 3,5-dinitrobenzoate

Guidance literature:: With pyridine; sodium periodate; osmium(VIII) oxide;
DOI:10.1002/hlca.19740570520

Reference yield:

: 3,5-Dinitro-benzoic acid 4-hydroxy-3-methyl-4,4-diphenyl-butyl ester

: 53782-51-7
3-oxobutyl 3,5-dinitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂

2: aq. NaIO₄, OsO₄, Py

With pyridine; sodium periodate; osmium(VIII) oxide; thionyl chloride;
DOI:10.1002/hlca.19740570520