2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester

Base Information

Chemical Name:2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester
CAS No.:111304-31-5
Molecular Formula:C12H11NO5
Molecular Weight:249.223
Hs Code.:
European Community (EC) Number:400-650-9,810-021-4,641-485-4
UNII:AM9X97376Y
DSSTox Substance ID:DTXSID401045041
Nikkaji Number:J408.627I
Mol file:111304-31-5.mol

Synonyms:111304-31-5;AM9X97376Y;UNII-AM9X97376Y;Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester, (2Z)-;EC 810-021-4;2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester;39562-27-1;Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, methyl ester, (2Z)-;Methyl (2Z)-2-[(2-nitrophenyl)methylene]-3-oxobutanoate;METHYL (2Z)-2-((2-NITROPHENYL)METHYLENE)-3-OXOBUTANOATE;DTXSID401045041;s11915;NIFEDIPINE IMPURITY C [EP IMPURITY];Z56758934;(Z)-2-Acetyl-3-(2-nitrophenyl)propenoic acid methyl ester;BUTANOIC ACID, 2-((2-NITROPHENYL)METHYLENE)-3-OXO-, METHYL ESTER, (Z)-

Suppliers and Price of 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester

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

American Custom Chemicals Corporation
NIFEDIPINE IMPURITY-C 95.00%
5MG
$ 497.84

Total 8 raw suppliers

Chemical Property of 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester

Chemical Property:

Melting Point:90-93 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point:395.9±32.0 °C(Predicted)
PSA：89.19000
Density:1.296±0.06 g/cm3(Predicted)
LogP:2.26340
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:249.06372245
Heavy Atom Count:18
Complexity:382

Purity/Quality:

99.9% ^*data from raw suppliers

NIFEDIPINE IMPURITY-C 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC
Isomeric SMILES:CC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/C(=O)OC
Uses Methyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate is an impurity compound of Nifedipine (N457000). Nifedipine is an antihypertensive and antianginal. A dihydorpyridine calcium channel blocker.

Technology Process of 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester

There total 4 articles about 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester 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: 95.0%

: 105-45-3
acetoacetic acid methyl ester

: 552-89-6
2-nitro-benzaldehyde

: 111304-31-5
2'-nitrobenzylideneacetoacetic acid methyl ester

Guidance literature:: With cross-linked polystyrene-titanium tetrachloride complex; In neat (no solvent); at 60 ℃; for 2.5h;
DOI:10.1016/j.catcom.2018.11.001