3-(3-Nitrophenyl)-3-oxopropanoic acid

Base Information

Chemical Name:3-(3-Nitrophenyl)-3-oxopropanoic acid
CAS No.:17589-67-2
Molecular Formula:C9H7 N O5
Molecular Weight:209.1556
Hs Code.:
NSC Number:157888
DSSTox Substance ID:DTXSID90303330
Wikidata:Q82048536

Synonyms:17589-67-2;3-(3-nitrophenyl)-3-oxopropanoic acid;NSC157888;SCHEMBL1420764;DTXSID90303330;NSC-157888

Suppliers and Price of 3-(3-Nitrophenyl)-3-oxopropanoic acid

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-(3-Nitrophenyl)-3-oxopropanoic acid

Chemical Property:

Vapor Pressure:6.16E-07mmHg at 25°C
Boiling Point:394.7°Cat760mmHg
Flash Point:175.7°C
Density:1.453g/cm³
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:209.03242232
Heavy Atom Count:15
Complexity:283

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Nitrophenyl)-3-oxopropanoic acid

There total 2 articles about 3-(3-Nitrophenyl)-3-oxopropanoic acid 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:

: 52119-38-7
ethyl 3-oxo-3-(3-nitrophenyl)propanoate

: 17589-67-2
3-(3-nitro-phenyl)-3-oxo-propionic acid

Guidance literature:: With sulfuric acid;
DOI:10.1021/ja01469a040

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 17589-67-2
3-(3-nitro-phenyl)-3-oxo-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Na

2: aq. H₂SO₄

With sulfuric acid; sodium;
DOI:10.1021/ja01469a040

Reference yield: 61.0%

: C₉H₁₇NO₃S

: 17589-67-2
3-(3-nitro-phenyl)-3-oxo-propionic acid

: 1379537-23-1
C₁₇H₂₄N₂O₆S

Guidance literature:: With lanthanum(lll) triflate; In toluene; at 20 ℃; for 12h; optical yield given as %de; diastereoselective reaction; Molecular sieve; Inert atmosphere;
DOI:10.1021/ol301180z