Amicarbazone

Base Information

• Chemical Name: Amicarbazone
• CAS No.: 129909-90-6
• Molecular Formula: C10H19N5O2
• Molecular Weight: 241.293
• Hs Code.: 2933990090
• European Community (EC) Number: 603-373-3
• UNII: 7FU145I60E
• DSSTox Substance ID: DTXSID3034329
• Nikkaji Number: J2.799.950F
• Wikidata: Q27225677
• Mol file: 129909-90-6.mol

Synonyms:4-amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide;amicarbazone

Chemical Property of Amicarbazone

Chemical Property:

• Vapor Pressure: 0-0Pa at 20-25℃
• Melting Point: 137.5oC
• Refractive Index: 1.586
• Boiling Point: 350℃ at 101.3kPa
• PKA: 17.04±0.20(Predicted)
• PSA: 94.94000
• Density: 1.28 g/cm³
• LogP: 1.21030
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.15387487
• Heavy Atom Count: 17
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-N-(1,1-dimethylethyl)-4,5-dihydro-3-(1-methylethyl)-5-oxo-1H-1,2,4-triazole-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
• Uses: Herbicide.

Technology Process of Amicarbazone

There total 4 articles about Amicarbazone 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: 96.0%

4-amino-3-isopropyl-1H-1,2,4-triazol-5-(4H)-one (96240-10-7) + Tert-butyl isocyanate (1609-86-5) → amicarbazone (129909-90-6)

Guidance literature:

With potassium hydroxide; lithium chloride; In acetic acid methyl ester;

Reference yield: 73.0%

→ amicarbazone (129909-90-6)

Guidance literature:

Reference yield:

N'-Isobutyryl-hydrazinecarboxylic acid methyl ester → amicarbazone (129909-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate; sodium hydroxide / water; toluene / 100 - 110 °C / Dean-Stark

2: potassium hydroxide / toluene / 0.5 h / 60 °C / Dean-Stark

With hydrazine hydrate; potassium hydroxide; sodium hydroxide; In water; toluene;

upstream raw materials:

4-amino-3-isopropyl-1H-1,2,4-triazol-5-(4H)-one

Tert-butyl isocyanate

Refernces

• 1、 -. "Amicarbazone synthesis method". Paragraph 0016; 0017; 0018. . Retrieved 2017/10/07.
• 2、 -. "Process for the preparation of substituted aminocarbonyltriazolinones". . . Retrieved 2008/06/13.