1,5-Bis(4-chlorophenyl)biguanide hydrochloride

Base Information

• Chemical Name: 1,5-Bis(4-chlorophenyl)biguanide hydrochloride
• CAS No.: 13590-98-2
• Molecular Formula: C14H14Cl3N5
• Molecular Weight: 358.65346
• Hs Code.: 2925294500
• European Community (EC) Number: 682-580-0
• UNII: 00AZ53Z27P
• Mol file: 13590-98-2.mol

Synonyms:1,5-Bis(4-chlorophenyl)biguanide hydrochloride;13590-98-2;13590-88-0;3-Cyano-1-isopropylguanidine;NSC-643485;ST-39008;Guanidine, N-cyano-N'-(1-methylethyl)-;UNII-00AZ53Z27P;00AZ53Z27P;N-Desisopropyl N-Chlorophenylchlorguanide Hydrochloride;Imidodicarbonimidic diamide, N,N'-bis(4-chlorophenyl)-, hydrochloride (1:1);(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(4-chlorophenyl)guanidine;hydrochloride;1,5-Bis-(4-chlorophenyl)biguanide hydrochloride;1,5-BIS-(4-CHLOROPHENYL)-BIGUANIDE HCL;SCHEMBL13584911;1,5-Bis(4-chlorophenyl)biguanidehydrochloride;A921963

Chemical Property of 1,5-Bis(4-chlorophenyl)biguanide hydrochloride

Chemical Property:

• Melting Point: 250 °C
• PSA: 83.79000
• LogP: 5.51490
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 357.031479
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

97% ^*data from raw suppliers

N-DesisopropylN-ChlorophenylchlorguanideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=NC(=NC2=CC=C(C=C2)Cl)N)N)Cl.Cl
• Isomeric SMILES: C1=CC(=CC=C1N/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N)Cl.Cl
• Uses: N-Desisopropyl N-Chlorophenylchlorguanide Hydrochloride (Proguanil EP Impurity C; Proguanil USP Related Compound C) is an impurity in the synthesis of Chlorguanide (C329500), an antimalarial.

Technology Process of 1,5-Bis(4-chlorophenyl)biguanide hydrochloride

There total 1 articles about 1,5-Bis(4-chlorophenyl)biguanide 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:

→ N1,N5-bis(4-chlorophenyl)biguanide hydrochloride (13590-98-2)

Guidance literature:

Reference yield:

Dimethyl oxalate (553-90-2) + N1,N5-bis(4-chlorophenyl)biguanide hydrochloride (13590-98-2) → C17H13Cl2N5O2

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 3h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2016.02.085

Reference yield:

N1,N5-bis(4-chlorophenyl)biguanide hydrochloride (13590-98-2) → 4,6-bis(4-chlorophenylamino)-N'-phenyl-1,3,5-triazine-2-carbohydrazide

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / methanol / 3 h / 20 °C / Inert atmosphere; Reflux

2: acetic acid / ethanol / 18 h / Reflux

With sodium hydrogencarbonate; acetic acid; In methanol; ethanol;

DOI:10.1016/j.bmcl.2016.02.085

Downstream raw materials:

N,N'-bis-(4-chloro-phenyl)-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine