Mifentidine

Base Information

• Chemical Name: Mifentidine
• CAS No.: 83184-43-4
• Molecular Formula: C13H16N4
• Molecular Weight: 228.297
• Hs Code.: 2933290090
• UNII: 2F70KF5S0K
• DSSTox Substance ID: DTXSID00232208
• Nikkaji Number: J33.098A
• Wikidata: Q27254669
• NCI Thesaurus Code: C66149
• ChEMBL ID: CHEMBL308005
• Mol file: 83184-43-4.mol

Synonyms:4(5)-(4-isopropylaminomethyleneiminophenyl)imidazole;DA 4577;DA-4577;mifentidine

Chemical Property of Mifentidine

Chemical Property:

• Vapor Pressure: 2.78E-08mmHg at 25°C
• Boiling Point: 449.8°C at 760 mmHg
• Flash Point: 225.8°C
• PSA: 53.07000
• Density: 1.13g/cm³
• LogP: 2.99830
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 228.137496527
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

MIFENTIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N=CNC1=CC=C(C=C1)C2=CN=CN2

Technology Process of Mifentidine

There total 6 articles about Mifentidine 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:

VUF 5801 (29528-28-7) → N-isopropyl-N'-(4-1H-imidazol-4-ylphenyl)formamidine (83184-43-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / ethanol / Ambient temperature

2: H₂O

In ethanol; water;

DOI:10.1021/jm00369a025

Reference yield:

N-cyano-N'-(4-1H-imidazol-4-ylphenyl)formamidine (83184-32-1) + isopropylamine (75-31-0) → N-isopropyl-N'-(4-1H-imidazol-4-ylphenyl)formamidine (83184-43-4)

Guidance literature:

In water;

DOI:10.1021/jm00369a025

Reference yield:

mifentidine (83184-43-4) → mifentidine (83184-43-4)

Guidance literature:

In water; at 25 ℃; Equilibrium constant;

upstream raw materials:

N-cyano-N'-(4-1H-imidazol-4-ylphenyl)formamidine

isopropylamine

VUF 5801

Refernces

• 1、 Donetti,Cereda,Bellora,Gallazzi,Bazzano,Vanoni,Del Soldato,Micheletti,Pagani,Giachetti. "(Imidazolylphenyl)formamidines. A structurally novel class of potent histamine H2 receptor antagonists". . p. 380 - 386. Retrieved 2007/10/02.