2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;hydrochloride

Base Information

• Chemical Name: 2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;hydrochloride
• CAS No.: 55453-00-4
• Molecular Formula: C₂₂H₁₉N₅O*2ClH
• Molecular Weight: 442.348
• DSSTox Substance ID: DTXSID70585076
• NSC Number: 240898
• Mol file: 55453-00-4.mol

Synonyms:55453-00-4;2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;hydrochloride;CHEMBL598230;DTXSID70585076;NSC240898;2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;hydrochloride

Chemical Property:

• Vapor Pressure: 2E-16mmHg at 25°C
• Boiling Point: 636°C at 760 mmHg
• Flash Point: 338.5°C
• PSA: 124.76000
• LogP: 6.59740
• Storage Temp.: room temp
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 405.1356380
• Heavy Atom Count: 29
• Complexity: 565

Purity/Quality:

98%,99%, ^*data from raw suppliers

p-Amidinophenyl p-(6-amidino-2-indolyl)phenyl ether dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N.Cl
• Uses: p-?Amidinophenyl p-?(6-?amidino-?2-?indolyl)?phenyl Ether Dihydrochloride is structurally similar to Granular Blue (CAS No. 71431-29-3). It has been referred to in some literature as Granular Blue, a fluorescent neuronal tracer. Dyes and metabolites.

Technology Process of 2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;hydrochloride

There total 23 articles about 2-[4-(4-Carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide;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:

4-cyanophenol (767-00-0) → 2-<4-(4-Amidinophenoxy)phenyl>indol-6-carboxamidin-dihydrochlorid (55453-00-4)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / dimethylformamide / 3 h / 155 - 160 °C

2: 92 percent / piperidine / 24 h / 100 °C

3: 78 percent / triethylphosphite / 20 h / Heating

4: 1) ethanol; 2) NH₃ / 1) CHCl₃; 2) ethanol

With piperidine; ethanol; ammonia; potassium carbonate; triethyl phosphite; In N,N-dimethyl-formamide;

DOI:10.1002/jlac.198419840302

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 2-<4-(4-Amidinophenoxy)phenyl>indol-6-carboxamidin-dihydrochlorid (55453-00-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 72 percent / K₂CO₃ / dimethylformamide / 3 h / 155 - 160 °C

2: 92 percent / piperidine / 24 h / 100 °C

3: 78 percent / triethylphosphite / 20 h / Heating

4: 1) ethanol; 2) NH₃ / 1) CHCl₃; 2) ethanol

With piperidine; ethanol; ammonia; potassium carbonate; triethyl phosphite; In N,N-dimethyl-formamide;

DOI:10.1002/jlac.198419840302

Reference yield:

4-fluorobenzaldehyde (459-57-4) → 2-<4-(4-Amidinophenoxy)phenyl>indol-6-carboxamidin-dihydrochlorid (55453-00-4)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / dimethylformamide / 3 h / 155 - 160 °C

2: 92 percent / piperidine / 24 h / 100 °C

3: 78 percent / triethylphosphite / 20 h / Heating

4: 1) ethanol; 2) NH₃ / 1) CHCl₃; 2) ethanol

With piperidine; ethanol; ammonia; potassium carbonate; triethyl phosphite; In N,N-dimethyl-formamide;

DOI:10.1002/jlac.198419840302

upstream raw materials:

4-Bromodiphenyl ether

4-(cyanomethyl)benzonitrile

4-cyanophenylacetic acid

4-fluorobenzonitrile

Refernces