Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate

Base Information

Chemical Name:Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate
CAS No.:288591-67-3
Molecular Formula:C₁₆H₁₅N₃O₅
Molecular Weight:329.312
Hs Code.:
DSSTox Substance ID:DTXSID401194604

Synonyms:DTXSID401194604;Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate;288591-67-3

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

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Chemical Property of Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:329.10117059
Heavy Atom Count:24
Complexity:465

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate

There total 6 articles about Ethyl 2-nitro-alpha-[(3-pyridinylcarbonyl)amino]benzeneacetate 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: 82.0%

: 10400-19-8
3-pyridinecarbonyl chloride

: 791050-91-4
ethyl (2-nitrophenyl)glycine

: 288591-67-3
N-(ethyl 2-nitrophenylglycine)nicotinamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;
DOI:10.1021/jo9917846

Reference yield:

: 50381-55-0
methyl α-phthalimido-2-nitrophenylacetate

: 288591-67-3
N-(ethyl 2-nitrophenylglycine)nicotinamide

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / aq. HCl; AcOH / 4 h / Heating

2: 88 percent / p-toluenesulfonic acid monohydrate / 8 h / Heating

3: 82 percent / DIEA / dimethylformamide

With hydrogenchloride; toluene-4-sulfonic acid; acetic acid; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; 1: Hydrolysis / 2: Esterification / 3: Acylation;
DOI:10.1021/jo9917846

Reference yield:

: 3740-52-1
2-(2-nitrophenyl)acetic acid

: 288591-67-3
N-(ethyl 2-nitrophenylglycine)nicotinamide

Guidance literature:: Multi-step reaction with 6 steps

1: 95 percent / NaHCO₃ / dimethylformamide / 8 h

2: 22 percent / NBS; benzoyl peroxide / CCl₄ / 72 h / Heating

3: 90 percent / dimethylformamide / 2 h

4: 80 percent / aq. HCl; AcOH / 4 h / Heating

5: 88 percent / p-toluenesulfonic acid monohydrate / 8 h / Heating

6: 82 percent / DIEA / dimethylformamide

With hydrogenchloride; N-Bromosuccinimide; sodium hydrogencarbonate; toluene-4-sulfonic acid; acetic acid; N-ethyl-N,N-diisopropylamine; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide; 1: Methylation / 2: Bromination / 3: Substitution / 4: Hydrolysis / 5: Esterification / 6: Acylation;
DOI:10.1021/jo9917846