1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride
• CAS No.: 74687-37-9
• Molecular Formula: C₂₅H₃₄N₁₂O₄*2ClH
• Molecular Weight: 639.545
• DSSTox Substance ID: DTXSID90996206
• ChEMBL ID: CHEMBL537712
• Mol file: 74687-37-9.mol

Synonyms:74687-37-9;1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride;CHEMBL537712;C25H34N12O4.2ClH;DTXSID90996206;C25-H34-N12-O4.2Cl-H;LS-136704;1H-Pyrrole-2-carboxamide,4-(((4-((((aminoiminomethyl)amino)acetyl)ami no)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethy l)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-;N-(5-{[5-({5-[(4-Amino-4-iminobutan-2-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-2-carbamimidamidoethanimidic acid--hydrogen chloride (1/2)

Chemical Property of 1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride

Chemical Property:

• Vapor Pressure: 1.09E-26mmHg at 25°C
• Boiling Point: 808.4°C at 760 mmHg
• Flash Point: 442.7°C
• PSA: 246.45000
• LogP: 4.85400
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 638.2359531
• Heavy Atom Count: 43
• Complexity: 1030

Purity/Quality:

4-(((4-((((AMINOIMINOMETHYL)AMINO)ACETYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)N-(5-(((2-(AMINOIMINOMETHYL)-1-METHYLETHYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE DIHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=N)N)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)CN=C(N)N.Cl.Cl

Technology Process of 1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride

There total 2 articles about 1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride 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:

C22H27N9O5*ClH (71084-52-1) → β-<pyrrole-2-carboxamido>pyrrole-2-carboxamido>butyroamidine dihydrochloride (74687-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / dimethylformamide / 760 Torr

2: DCC / dimethylformamide / 0 - 20 °C

With hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In N,N-dimethyl-formamide;

DOI:10.1021/jm00184a018

Reference yield:

guanidineacetic acid hydrochloride (14901-20-3) + C22H29N9O3*ClH → β-<pyrrole-2-carboxamido>pyrrole-2-carboxamido>butyroamidine dihydrochloride (74687-37-9)

Guidance literature:

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; Yield given;

DOI:10.1021/jm00184a018

upstream raw materials:

guanidineacetic acid hydrochloride

C₂₂H₂₇N₉O₅*ClH