4-Benzylpiperazine-1-carboxamidine hemisulfate

Base Information

• Chemical Name: 4-Benzylpiperazine-1-carboxamidine hemisulfate
• CAS No.: 7773-69-5
• Molecular Formula: C12H18N4
• Molecular Weight: 254.763
• Hs Code.: 2933599090
• European Community (EC) Number: 673-886-5
• ChEMBL ID: CHEMBL1417883
• Mol file: 7773-69-5.mol

Synonyms:1-benzyl-4-(guanidinoiminomethyl)piperazine;1-benzyl-4-(guanidinoiminomethyl)piperazine sulfate;4-(phenylmethyl)-1-piperazinecarboximidamide;4P 183;4P-183;4P183

Chemical Property of 4-Benzylpiperazine-1-carboxamidine hemisulfate

Chemical Property:

• Vapor Pressure: 0.000142mmHg at 25°C
• Melting Point: 238-240 °C
• Refractive Index: 1.618
• Boiling Point: 332.8 °C at 760 mmHg
• Flash Point: 155.1 °C
• PSA: 195.68000
• Density: 1.18 g/cm³
• LogP: 3.17500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 316.12052631
• Heavy Atom Count: 21
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

4-Benzylpiperazine-1-carboxamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=N)N.OS(=O)(=O)O

Technology Process of 4-Benzylpiperazine-1-carboxamidine hemisulfate

There total 4 articles about 4-Benzylpiperazine-1-carboxamidine hemisulfate 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: 70.0%

1-phenylmethylpiperazine (2759-28-6) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → 4-benzylpiperazine-1-carboximidamide (7773-69-5,105735-38-4)

Guidance literature:

1-phenylmethylpiperazine; S-Methylisothiourea sulfate; In water; for 2h; Reflux;

With barium(II) chloride; In water; for 1.5h; Reflux;

DOI:10.1007/s11426-011-4477-6

Reference yield:

4-benzyl-piperazine-1-N,N'-bis(tert-butoxycarbonyl)carboxamidine (400785-59-3) → 4-benzylpiperazine-1-carboximidamide (7773-69-5,105735-38-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/S0040-4039(02)01390-4

Reference yield:

1-phenylmethylpiperazine (2759-28-6) → 4-benzylpiperazine-1-carboximidamide (7773-69-5,105735-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: polymer-supported carbodiimide / CH₂Cl₂ / 16 h / 20 °C

1.2: 87 percent / tris(2-aminoethyl)amine, polymer-bound / CH₂Cl₂ / 16 h / 20 °C

2.1: trifluoroacetic acid / CH₂Cl₂ / 6 h / 20 °C

With polymer-supported carbodiimide; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0040-4039(02)01390-4

upstream raw materials:

4-benzyl-piperazine-1-N,N'-bis(tert-butoxycarbonyl)carboxamidine

1-phenylmethylpiperazine

S-Methylisothiourea sulfate

Downstream raw materials:

1-benzyl-4-carbamimidoyl-1-methyl-piperazinium; iodide hydriodide

2-(4-benzyl-piperazin-1-yl)-5-trifluoromethyl-pyrimidine

Methyl 2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate

Refernces

• 1、 Guisado, Olga,Martínez, Sonia,Pastor, Joaquín. "A novel, facile methodology for the synthesis of N,N′-bis(tert-butoxycarbonyl)-protected guanidines using polymer-supported carbodiimide". . p. 7105 - 7109. Retrieved 2007/10/03.