2-Ethylidenehydrazinecarboxamide

Base Information

• Chemical Name: 2-Ethylidenehydrazinecarboxamide
• CAS No.: 591-86-6
• Molecular Formula: C3H7N3O
• Molecular Weight: 101.108
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID601031987
• Mol file: 591-86-6.mol

Synonyms:591-86-6;Acetaldehyde semicarbazone;2-Ethylidenehydrazinecarboxamide;[(E)-ethylideneamino]urea;Hydrazinecarboxamide, 2-ethylidene-;Acetaldehydsemicarbazon;(1E)-Ethanal semicarbazone #;SCHEMBL9473690;IUNNCDSJWDQYPW-GORDUTHDSA-N;DTXSID601031987;(2E)-2-Ethylidenhydrazincarboxamid;MFCD00059191;AKOS005068065;A0193;A832198

Chemical Property of 2-Ethylidenehydrazinecarboxamide

Chemical Property:

• Melting Point: 164 °C
• PKA: 12.25±0.46(Predicted)
• PSA: 67.48000
• Density: 1.21 g/cm³
• LogP: 0.75160
• Solubility.: soluble in Methanol
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 101.058911855
• Heavy Atom Count: 7
• Complexity: 88.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetaldehyde Semicarbazone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=NNC(=O)N
• Isomeric SMILES: C/C=N/NC(=O)N

Technology Process of 2-Ethylidenehydrazinecarboxamide

There total 11 articles about 2-Ethylidenehydrazinecarboxamide 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:

semicarbazide hydrochloride (563-41-7) + acetaldehyde (75-07-0,9002-91-9) → acetaldehyde semicarbazone (591-86-6)

Guidance literature:

semicarbazide hydrochloride; With sodium acetate; In ethanol; for 0.75h; Reflux;

acetaldehyde; at 20 ℃; for 11h; Reflux;

DOI:10.1016/j.ejmech.2018.04.045

Reference yield:

potassium cyanate (590-28-3) + acetaldehyde (75-07-0,9002-91-9) → acetaldehyde semicarbazone (591-86-6)

Guidance literature:

With water; sodium carbonate; acetic acid; hydrazinium sulfate;

Reference yield:

semicarbazide hydrochloride (563-41-7) + acetonitrile (75-05-8,26809-02-9) → acetaldehyde semicarbazone (591-86-6)

Guidance literature:

With water; sodium acetate; nickel; under 73550.8 Torr; Hydrogenation;

upstream raw materials:

semicarbazide hydrochloride

2,4,6-Trimethyl-[1,3,5]triazinane; hydrate

potassium cyanate

acetaldehyde

Downstream raw materials:

1H-pyrazole-4-carbaldehyde

(+/-)-N-cyclohexyl-2-[N'-carbamoyl-N-(2-oxo-2-{p-methoxyphenyl}acetyl)hydrazino]propionamide

1,2,3-selenadiazole

Glyoxal semicarbazone

Refernces