(4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Base Information

Chemical Name:(4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS No.:26178-99-4
Molecular Formula:C₁₁H₁₀N₆O₃S
Molecular Weight:306.305
Hs Code.:
NSC Number:124792
DSSTox Substance ID:DTXSID90426018

Synonyms:NSC124792;26178-99-4;DTXSID90426018;STK123068;AKOS000494334;AKOS001612789;NSC-124792;(4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide;(4Z)-3-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Suppliers and Price of (4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

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 (4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Chemical Property:

Vapor Pressure:4.69E-09mmHg at 25°C
Boiling Point:471.4°Cat760mmHg
Flash Point:238.9°C
Density:1.65g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:306.05350938
Heavy Atom Count:21
Complexity:541

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=CC=C2[N+](=O)[O-]

Technology Process of (4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

There total 2 articles about (4E)-3-methyl-4-[(2-nitrophenyl)hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide 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: 76.0%

: 79-19-6
thiosemicarbazide

: 20954-18-1
2-[(2-Nitro-phenyl)-hydrazono]-3-oxo-butyric acid ethyl ester

: 26178-99-4
3-methyl-4-(2-nitro-phenylhydrazono)-5-oxo-4,5-dihydro-pyrazole-1-carbothioic acid amide

Guidance literature:: With pyridine; In N,N-dimethyl-formamide; for 0.05h; Microwave irradiation;

Reference yield:

: 88-74-4
2-nitro-aniline

: 26178-99-4
3-methyl-4-(2-nitro-phenylhydrazono)-5-oxo-4,5-dihydro-pyrazole-1-carbothioic acid amide

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium nitrite / 0 - 5 °C / Acidic conditions

1.2: Microwave irradiation; Cooling with ice

2.1: pyridine / N,N-dimethyl-formamide / 0.05 h / Microwave irradiation

With pyridine; sodium nitrite; In N,N-dimethyl-formamide;