N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide

Base Information

Chemical Name:N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide
CAS No.:162626-99-5
Deprecated CAS:163180-50-5,174021-98-8
Molecular Formula:C₁₄H₁₈N₄O₄
Molecular Weight:306.321
Hs Code.:
European Community (EC) Number:634-074-6
ChEMBL ID:CHEMBL123732
Mol file:162626-99-5.mol

Synonyms:FR 144420;FR-144420;FR144420;N-(4-ethyl-3-(hydroxyimino)-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide

Suppliers and Price of N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide

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

Sigma-Aldrich
(±)-(E)-4-Ethyl-2-[(Z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide ≥97%
10mg
$ 274.00

American Custom Chemicals Corporation
(+/-)-(E)-4-ETHYL-2-((Z)-HYDROXYIMINO)-5-NITRO-3-HEXEN-1-YL-NICOTINAMIDE 95.00%
10MG
$ 785.86

Total 8 raw suppliers

Chemical Property of N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide

Chemical Property:

Boiling Point:600.8±55.0 °C(Predicted)
PKA:6?+-.0.10(Predicted)
PSA：109.40000
Density:1.26±0.1 g/cm3(Predicted)
LogP:2.33940
Storage Temp.:?20°C
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:306.13280507
Heavy Atom Count:22
Complexity:456

Purity/Quality:

98%min ^*data from raw suppliers

(±)-(E)-4-Ethyl-2-[(Z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide ≥97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCC(=CC(=NO)CNC(=O)C1=CN=CC=C1)C(C)[N+](=O)[O-]
Isomeric SMILES:CC/C(=C\C(=N\O)\CNC(=O)C1=CN=CC=C1)/C(C)[N+](=O)[O-]

Technology Process of N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide

There total 7 articles about N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide 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:

: 63883-69-2
(E)-2-ethyl-2-butenal

: 162626-99-5,163180-50-5
N-[4-Ethyl-(Z)-2-hydroxyimino-5-nitro-(E)-3-hexen-1-yl]-3-pyridinecarboxamide

Guidance literature:: Multi-step reaction with 7 steps

1: NaH

2: LiAlH₄ / tetrahydrofuran

3: pyridine

4: (Ph₃P)4Pd / dimethylformamide

5: NH₂NH₂ / ethanol

6: pyridine

7: HCl, NaNO₂ / H₂O

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; hydrazine; sodium nitrite; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/0960-894X(95)00547-7

Reference yield:

: 92454-22-3
ethyl (E,E)-4-ethylhexa-2,4-dienoate

: 162626-99-5,163180-50-5
N-[4-Ethyl-(Z)-2-hydroxyimino-5-nitro-(E)-3-hexen-1-yl]-3-pyridinecarboxamide

Guidance literature:: Multi-step reaction with 6 steps

1: LiAlH₄ / tetrahydrofuran

2: pyridine

3: (Ph₃P)4Pd / dimethylformamide

4: NH₂NH₂ / ethanol

5: pyridine

6: HCl, NaNO₂ / H₂O

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrazine; sodium nitrite; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/0960-894X(95)00547-7

Reference yield:

: 92454-36-9
(E,E)-4-ethylhexa-2,4-diene-1-ol

: 162626-99-5,163180-50-5
N-[4-Ethyl-(Z)-2-hydroxyimino-5-nitro-(E)-3-hexen-1-yl]-3-pyridinecarboxamide

Guidance literature:: Multi-step reaction with 5 steps

1: pyridine

2: (Ph₃P)4Pd / dimethylformamide

3: NH₂NH₂ / ethanol

4: pyridine

5: HCl, NaNO₂ / H₂O

With pyridine; hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrazine; sodium nitrite; In ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/0960-894X(95)00547-7