1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate

Base Information

Chemical Name:1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate
CAS No.:147471-15-6
Molecular Formula:C₁₈H₂₁N₃O₆
Molecular Weight:375.381
Hs Code.:
DSSTox Substance ID:DTXSID101148771

Synonyms:DTXSID101148771;AKOS005108115;1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate;147471-15-6

Suppliers and Price of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate

Supply Marketing:

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

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Chemical Property of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:375.14303540
Heavy Atom Count:27
Complexity:498

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC

Technology Process of 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate

There total 2 articles about 1,3-Diethyl 2-[1-[4-(1H-imidazol-1-yl)phenyl]-2-nitroethyl]propanedioate 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: 98.0%

: 75-52-5
nitromethane

: 147471-14-5
2-<<4-(1H-imidazol-1-yl)phenyl>methylene>-1,3-propanedioic acid diethyl ester

: 147471-15-6
2<1-<4-(1H-imidazol-1-yl)phenyl>-2-nitroethyl>-1,3-propanedioic acid diethyl ester

Guidance literature:: With 1,1,3,3-tetramethylguanidine; at -20 ℃; for 2h;
DOI:10.1021/jm00060a012

Reference yield:

: 10040-98-9
1-(4-formylphenyl)-1H-imidazole

: 147471-15-6
2<1-<4-(1H-imidazol-1-yl)phenyl>-2-nitroethyl>-1,3-propanedioic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / piperidine, acetic acid / benzene / 28 h / Heating

2: 98 percent / tetramethylguanidine / 2 h / -20 °C

With piperidine; 1,1,3,3-tetramethylguanidine; acetic acid; In benzene;
DOI:10.1021/jm00060a012

Reference yield: 64.0%

: 147471-15-6
2<1-<4-(1H-imidazol-1-yl)phenyl>-2-nitroethyl>-1,3-propanedioic acid diethyl ester

: 147471-16-7
1-hydroxy-4-<4-(1H-imidazol-1-yl)phenyl>-2-oxopyrrolidine-3-carboxylic acid ethyl ester

Guidance literature:: With ammonium formate; palladium on activated charcoal; In methanol; for 0.5h; Ambient temperature;
DOI:10.1021/jm00060a012