4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride

Base Information

• Chemical Name: 4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride
• CAS No.: 97950-75-9
• Molecular Formula: C15H22ClN7O2
• Molecular Weight: 367.8339
• DSSTox Substance ID: DTXSID30913533
• ChEMBL ID: CHEMBL277393
• Mol file: 97950-75-9.mol

Synonyms:97950-75-9;CHEMBL277393;SCHEMBL9124388;DTXSID30913533;1H-Pyrrole-2-carboxamide, 4-amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, monohydrochloride;4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride;4-Amino-N-{5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-pyrrole-2-carboxamide--hydrogen chloride (1/1)

Chemical Property of 4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride

Chemical Property:

• Vapor Pressure: 3.67E-14mmHg at 25°C
• Boiling Point: 589°C at 760 mmHg
• Flash Point: 310°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 367.1523507
• Heavy Atom Count: 25
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)N.Cl

Technology Process of 4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride

There total 13 articles about 4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride 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: 82.0%

N-(3-amino-3-iminopropyl)-1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide hydrochloride (14555-80-7) → 3-<1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)pyrrole-2-carboxamido>propionamidine hydrochloride (97950-75-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 60 ℃; for 5h;

Reference yield:

1-methyl-4-<1-methyl-4-(formylamino)pyrrole-2-carboxamido>-pyrrole-2-carboxamidopropionamidine hydrochloride (23999-81-7) → 3-<1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)pyrrole-2-carboxamido>propionamidine hydrochloride (97950-75-9)

Guidance literature:

With hydrogenchloride; In methanol; for 1h;

Reference yield:

3-<1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxamido>propiononitrile (3185-94-2) → 3-<1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)pyrrole-2-carboxamido>propionamidine hydrochloride (97950-75-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / HCl / 3 h / 20 °C

2: 74 percent / liq. NH₃ / ethanol / -78 - 20 °C

3: 82 percent / H₂ / 10 percent Pd/C / ethanol / 5 h / 60 °C

With hydrogenchloride; ammonia; hydrogen; palladium on activated charcoal; In ethanol; 1: Addition / 2: ammonolysis / 3: Reduction;

upstream raw materials:

N-(3-amino-3-iminopropyl)-1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide hydrochloride

3-<1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxamido>propiononitrile

1-Methyl-2-pyrrolecarboxylic acid

1-methyl-4-nitro-pyrrol-2-carboxylic acid

Downstream raw materials:

N-methylanthelvencin A

3-<1-methyl-4-<1-methyl-4-(2-(formylamino)thiazole-4-carboxamido)pyrrole-2-carboxamido>pyrrole-2-carboxamido>propionamidine hydrochloride

3-<1-methyl-4-<1-methyl-4-(dichloroacetamido)pyrrole-2-carboxamido>pyrrole-2-carboxamido>propionamidine tetraethylammonium sulfate