2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide

Base Information

Chemical Name:2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide
CAS No.:87587-19-7
Molecular Formula:C₁₅H₂₃N₅O₃S
Molecular Weight:353.445
Hs Code.:
NSC Number:352742
Nikkaji Number:J153.487D
ChEMBL ID:CHEMBL173277
Mol file:87587-19-7.mol

Synonyms:NSC 352742;87587-19-7;BRN 5638189;1-Piperazinecarboxylic acid, 4-(2-(1-(2-pyridyl)ethyl)thiocarbazoyl)-, ethyl ester, N'''-oxide;NSC352742;CHEMBL173277;C15H23N5O3S;NSC-352742;LS-110994;2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide

Suppliers and Price of 2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide

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

Total 2 raw suppliers

Chemical Property of 2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide

Chemical Property:

Vapor Pressure:3.35E-12mmHg at 25°C
Boiling Point:551.3°Cat760mmHg
Flash Point:287.2°C
PSA：114.39000
Density:1.32g/cm³
LogP:1.98690
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:353.15216079
Heavy Atom Count:24
Complexity:431

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1CCN(CC1)C(=S)NNC(C)C2=CC=CC=[N+]2[O-]

Technology Process of 2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide

There total 3 articles about 2-[1-[2-[(4-Ethoxycarbonylpiperazin-1-yl)(thioxo)methyl]hydrazino]ethyl]pyridine 1-oxide 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: 65.0%

: 120-43-4
4-ethoxycarbonylpiperazine

: 87587-21-1
methyl 3-<1-(2-pyridinyl 1-oxide)ethyl>hydrazinecarbodithioate

: 87587-19-7
4-{N'-[1-(1-Oxy-pyridin-2-yl)-ethyl]-hydrazinothiocarbonyl}-piperazine-1-carboxylic acid ethyl ester

Guidance literature:: In ethanol; for 4h; Heating;
DOI:10.1021/jm00367a019

Reference yield:

: 2457-50-3
2-acetylpyridine N-oxide

: 87587-19-7
4-{N'-[1-(1-Oxy-pyridin-2-yl)-ethyl]-hydrazinothiocarbonyl}-piperazine-1-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / methanol / 0.5 h / 50 °C

2: 92 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

3: 65 percent / ethanol / 4 h / Heating

With sodium tetrahydroborate; In methanol; ethanol;
DOI:10.1021/jm00367a019

Reference yield:

: 87587-00-6
methyl 3-<1-(2-pyridinyl 1-oxide)ethylidene>hydrazinecarbodithioate

: 87587-19-7
4-{N'-[1-(1-Oxy-pyridin-2-yl)-ethyl]-hydrazinothiocarbonyl}-piperazine-1-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

2: 65 percent / ethanol / 4 h / Heating

With sodium tetrahydroborate; In ethanol;
DOI:10.1021/jm00367a019