Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-

Base Information

• Chemical Name: Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-
• CAS No.: 158942-04-2
• Molecular Formula: C17H16N4O
• Molecular Weight: 292.34
• UNII: AL4387525T
• DSSTox Substance ID: DTXSID9043984
• Nikkaji Number: J689.934J
• Wikipedia: SB-206553
• Wikidata: Q7388905
• Pharos Ligand ID: 78DGDM2YJWPT
• Metabolomics Workbench ID: 67494
• ChEMBL ID: CHEMBL297784
• Mol file: 158942-04-2.mol

Synonyms:3,5-dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide;5-methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo(2,3-f)indole;MPCTPI;SB 206553;SB-206553;SB206553

Chemical Property of Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-

Chemical Property:

• Appearance/Colour: brown solid
• Vapor Pressure: 3.04E-13mmHg at 25°C
• Melting Point: 250-252 °C
• Boiling Point: 575.4 °C at 760 mmHg
• PKA: 13.50±0.20(Predicted)
• Flash Point: 301.8 °C
• PSA: 50.16000
• Density: 1.33 g/cm³
• LogP: 3.30590
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: 30 mg/mL
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 292.13241115
• Heavy Atom Count: 22
• Complexity: 429

Purity/Quality:

97% ^*data from raw suppliers

SB206553hydrochloride ≥99%(HPLC) ^*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: CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21
• Uses: SB 206553 Hydrochloride is a 5-HT2 antagonist.

Technology Process of Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl-

There total 7 articles about Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl- 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:

1-(5-aminoindolin-1-yl)ethanone (4993-96-8) → 5-methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole (158942-04-2)

Guidance literature:

Multi-step reaction with 6 steps

1: 93 percent / H₂ / 5percent Pd/C / ethanol / 72 h

2: 89 percent / CF₃COOH / 64 h / Heating

3: 80 percent / K₂CO₃ / methanol / 0.5 h

4: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, 1 h

5: 2.5 M NaOH / 4 h / Heating

6: toluene; CH₂Cl₂ / 2.5 h

With sodium hydroxide; hydrogen; sodium hydride; potassium carbonate; trifluoroacetic acid; palladium on activated charcoal; In methanol; ethanol; dichloromethane; toluene;

DOI:10.1021/jm00014a004

Reference yield:

1-acetyl-5-(trifluoroacetyl)-1,2,3,5-tetrahydropyrrolo<2,3-f>indole (137601-29-7) → 5-methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole (158942-04-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / K₂CO₃ / methanol / 0.5 h

2: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, 1 h

3: 2.5 M NaOH / 4 h / Heating

4: toluene; CH₂Cl₂ / 2.5 h

With sodium hydroxide; sodium hydride; potassium carbonate; In methanol; dichloromethane; toluene;

DOI:10.1021/jm00014a004

Reference yield:

1-acetyl-5-methyl-1,2,3,5-tetrahydropyrrolo<2,3-f>indole (158942-38-2) → 5-methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole (158942-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.5 M NaOH / 4 h / Heating

2: toluene; CH₂Cl₂ / 2.5 h

With sodium hydroxide; In dichloromethane; toluene;

DOI:10.1021/jm00014a004

upstream raw materials:

5-methyl-1,2,3,5-tetrahydropyrrolo<2,3-f>indole

3-Pyridyl isocyanate

1-(5-aminoindolin-1-yl)ethanone

1-acetyl-5-(trifluoroacetyl)-1,2,3,5-tetrahydropyrrolo<2,3-f>indole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 158942-04-2 5-METHYL-1-(3-PYRIDYLCARBAMOYL)-1,2,3,5-TETRAHYDROPYRROLO [2,3-F]INDOLE

Send

Send

Metric Ton KG G Pound L ML

Send

Send