Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate

Base Information

Chemical Name:Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
CAS No.:77888-04-1
Molecular Formula:C14H15NO5
Molecular Weight:277.27300
Hs Code.:
DSSTox Substance ID:DTXSID50710223

Synonyms:77888-04-1;Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate;DTXSID50710223;AKOS030239626

Suppliers and Price of Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate

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

TRC
2-[(3-Nitrophenyl)methylene]-3-oxo-butanoicAcidPropylEster
25g
$ 95.00

Total 1 raw suppliers

Chemical Property of Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate

Chemical Property:

PSA：89.19000
LogP:3.04360
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:277.09502258
Heavy Atom Count:20
Complexity:410

Purity/Quality:

95% ^*data from raw suppliers

2-[(3-Nitrophenyl)methylene]-3-oxo-butanoicAcidPropylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C
Uses 2-[(3-Nitrophenyl)methylene]-3-oxo-butanoic Acid Propyl Ester is an intermediate in synthesizing 5-Ethyl-demethyl Lercanidipine (E913200), which is an impurity of Lercanidipine (L179000), a dihydropyridine calcium channel blocker.

Technology Process of Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate

There total 1 articles about Propyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate 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: 58.0%

: 1779-60-8
n-propyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 77888-04-1
2-(3-Nitrobenzyliden)acetessigsaeure-propylester

Guidance literature:: With piperidine; acetic acid; In benzene; for 4h; Ambient temperature;
DOI:10.1248/cpb.34.1589

Reference yield: 58.0%

: 86780-81-6
3-amino-2-crotonic acid 2,2-ethylenedioxy propyl ester

: 77888-04-1
2-(3-Nitrobenzyliden)acetessigsaeure-propylester

: 86780-91-8
Propyl 2,2-ethylenedioxypropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:: In ethanol; Heating;
DOI:10.1248/cpb.34.1589

Reference yield:

: 77888-04-1
2-(3-Nitrobenzyliden)acetessigsaeure-propylester

: 86781-01-3
propyl 2-oxopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / ethanol / Heating

2: 40 percent / MeSO₃H, H₂O / ethanol / 6 h / Heating

With methanesulfonic acid; water; In ethanol;
DOI:10.1248/cpb.34.1589