Imidocarb

Base Information

• Chemical Name: Imidocarb
• CAS No.: 27885-92-3
• Molecular Formula: C19H20N6O
• Molecular Weight: 348.407
• European Community (EC) Number: 248-711-7
• UNII: 8USS3K0VDH
• DSSTox Substance ID: DTXSID0048345
• Nikkaji Number: J20.350E
• Wikipedia: Imidocarb
• Wikidata: Q908851
• NCI Thesaurus Code: C83790
• RXCUI: 1740237
• Pharos Ligand ID: RBDUZFZSNLTJ
• Metabolomics Workbench ID: 57893
• ChEMBL ID: CHEMBL427342
• Mol file: 27885-92-3.mol

Synonyms:Dihydrochloride, Imidocarb;Hydrochloride, Imidocarb;Imidocarb;Imidocarb Dihydrochloride;Imidocarb Hydrochloride

Chemical Property of Imidocarb

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.94E-19mmHg at 25°C
• Boiling Point: 677.1oC at 760 mmHg
• PKA: 13.81±0.70(Predicted)
• Flash Point: 363.3oC
• PSA: 164.51000
• Density: 1.39 g/cm³
• LogP: 2.66700
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 348.16985928
• Heavy Atom Count: 26
• Complexity: 526

Purity/Quality:

99% ^*data from raw suppliers

Imidocarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
• Uses: Imidocarb is a urea derived antiprotozoal agent used in veterinary medicine for the treatment of infection with babesia and other parasites.

Technology Process of Imidocarb

There total 6 articles about Imidocarb 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: 91.9%

bis(trichloromethyl) carbonate (32315-10-9) + 2-(3-aminophenyl)imidazoline (94086-79-0) → imidocarb (27885-92-3)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 35 ℃; for 4h; pH=8; Temperature; pH-value;

Reference yield:

urea (57-13-6) + 2-(3-aminophenyl)imidazoline (94086-79-0) → imidocarb (27885-92-3)

Guidance literature:

With hydrogenchloride; In water; for 8h; Reflux; Inert atmosphere;

Reference yield:

methyl 3-nitrobenzoate (618-95-1) → imidocarb (27885-92-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfur / methanol / 5 h / 65 °C

2.1: hydrogenchloride / methanol / 2 h / 20 °C / pH 3.5

2.2: 1 h

3.1: water; sodium hydroxide / tetrahydrofuran / 4 h / 35 °C / pH 8

With hydrogenchloride; water; sulfur; sodium hydroxide; In tetrahydrofuran; methanol;

upstream raw materials:

bis(trichloromethyl) carbonate

2-(3-aminophenyl)imidazoline

methyl 3-nitrobenzoate

3-nitrobenzonitrile

Downstream raw materials:

imidocarb dipropionate

Refernces

• 1、 -. "A process for the preparation of imidazole". Paragraph 0030; 0033. . Retrieved 2016/10/07.