Imidocarb hydrochloride

Base Information

• Chemical Name: Imidocarb hydrochloride
• CAS No.: 5318-76-3
• Molecular Formula: C₁₉H₂₀N₆O*ClH
• Molecular Weight: 384.868
• European Community (EC) Number: 226-179-7
• UNII: KCC1V76AH8
• DSSTox Substance ID: DTXSID30201240
• Wikidata: Q27282180
• NCI Thesaurus Code: C76422
• ChEMBL ID: CHEMBL3989411
• Mol file: 5318-76-3.mol

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

Chemical Property of Imidocarb hydrochloride

Chemical Property:

• Vapor Pressure: 1.67E-11mmHg at 25°C
• Melting Point: 350° (dec)
• Boiling Point: 528.1 °C at 760 mmHg
• Flash Point: 273.2 °C
• PSA: 89.91000
• LogP: 3.30900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 420.1232147
• Heavy Atom Count: 28
• Complexity: 526

Purity/Quality:

98% ^*data from raw suppliers

Imidocarb dihydrochloride monohydrate VETRANAL ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4.Cl.Cl
• Uses: Antiprotozoal (Babesia). Imidocarb dihydrochloride, the most effective drug against anaplasmosis, is reported to be curative in a single dosage if given early in the infection during the rise in parasitemia. Multiple doses are required if the animals are treated at a later stage or if a relapse occurs.

Technology Process of Imidocarb hydrochloride

There total 3 articles about Imidocarb hydrochloride 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: 89.0%

2-(3-aminophenyl)-4,5-dihydro-1H-imidazol hydrochloride (53104-89-5) + trichloromethyl chloroformate (503-38-8) → imidocarb hydrochloride (5318-76-3)

Guidance literature:

With sodium acetate; In water; at 0 - 5 ℃; for 2h; Large scale;

Reference yield:

2-(3-nitrophenyl)-2-imidazoline (31659-42-4) → imidocarb hydrochloride (5318-76-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: palladium on activated charcoal; hydrogen / methanol / 0.25 h / 60 °C / Large scale

1.2: 2 h / Large scale

2.1: hydrogenchloride / water / 6 h / 0 - 60 °C / Large scale

3.1: sodium acetate / water / 2 h / 0 - 5 °C / Large scale

With hydrogenchloride; palladium on activated charcoal; hydrogen; sodium acetate; In methanol; water;

Reference yield:

3-nitrobenzonitrile (619-24-9) → imidocarb hydrochloride (5318-76-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sulfur / methanol / 24 h / 67 °C / Large scale

2.1: palladium on activated charcoal; hydrogen / methanol / 0.25 h / 60 °C / Large scale

2.2: 2 h / Large scale

3.1: hydrogenchloride / water / 6 h / 0 - 60 °C / Large scale

4.1: sodium acetate / water / 2 h / 0 - 5 °C / Large scale

With hydrogenchloride; palladium on activated charcoal; hydrogen; sodium acetate; sulfur; In methanol; water;

upstream raw materials:

2-(3-nitrophenyl)-2-imidazoline

2-(3-aminophenyl)-4,5-dihydro-1H-imidazol hydrochloride

trichloromethyl chloroformate

3-nitrobenzonitrile

Refernces