1-(p-Chlorophenyl)-3-(m-3-isobutylguanidinophenyl)urea hydrochloride

Base Information

• Chemical Name: 1-(p-Chlorophenyl)-3-(m-3-isobutylguanidinophenyl)urea hydrochloride
• CAS No.: 38787-32-5
• Molecular Formula: C18H23Cl2N5O
• Molecular Weight: 359.8532
• NSC Number: 314645
• DSSTox Substance ID: DTXSID60192051
• Mol file: 38787-32-5.mol

Synonyms:ICI 73602;ICI-73602

Chemical Property of 1-(p-Chlorophenyl)-3-(m-3-isobutylguanidinophenyl)urea hydrochloride

Chemical Property:

• Vapor Pressure: 4.02E-08mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.25g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 395.1279658
• Heavy Atom Count: 26
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN=C(N)NC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl.Cl

Technology Process of 1-(p-Chlorophenyl)-3-(m-3-isobutylguanidinophenyl)urea hydrochloride

There total 2 articles about 1-(p-Chlorophenyl)-3-(m-3-isobutylguanidinophenyl)urea 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:

1-(3-isobutylthioureido)-3-(3-p-chlorophenylureido)benzene → 1-(3-isobutylguanidino)-3-(3-p-chlorophenylureido)benzene hydrochloride (38787-32-5)

Guidance literature:

With ethereal hydrochloric acid; ammonia; In ethanol; isopropyl alcohol;

Reference yield:

p-chlorphenylisocyanate (104-12-1) + 1-isobutyl-3-m-aminophenylguanidine dihydrochloride → 1-(3-isobutylguanidino)-3-(3-p-chlorophenylureido)benzene hydrochloride (38787-32-5)

Guidance literature:

With sodium hydroxide; In pyridine;

Reference yield:

1-(3-isobutylguanidino)-3-(3-p-chlorophenylureido)benzene hydrochloride (38787-32-5) + D-Glucono-1,5-lactone (90-80-2,1335-57-5,4253-68-3) → 1-(3-isobutylguanidino)-3-(3-p-chlorophenylureido)benzene gluconate (38792-14-2)

Guidance literature:

In water; ethyl acetate;

upstream raw materials:

p-chlorphenylisocyanate

Downstream raw materials:

1-(3-isobutylguanidino)-3-(3-p-chlorophenylureido)benzene gluconate

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