3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)-

Base Information

• Chemical Name: 3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)-
• CAS No.: 851523-11-0
• Molecular Formula: C₁₉H₂₀N₄
• Molecular Weight: 304.395
• UNII: AH35111NF4
• ChEMBL ID: CHEMBL2036415
• Wikidata: Q27273920
• Mol file: 851523-11-0.mol

Synonyms:A-859261;851523-11-0;UNII-AH35111NF4;AH35111NF4;3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)-;CHEMBL2036415;3,6-Diazabicyclo[3.2.0]heptane, 3-[6-(1H-indol-5-yl)-3-pyridinyl]-6-methyl-, (1R,5R)-;SCHEMBL928824;BDBM50385393;Q27273920

Chemical Property of 3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 304.16879665
• Heavy Atom Count: 23
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CC2C1CN(C2)C3=CN=C(C=C3)C4=CC5=C(C=C4)NC=C5
• Isomeric SMILES: CN1C[C@H]2[C@@H]1CN(C2)C3=CN=C(C=C3)C4=CC5=C(C=C4)NC=C5

Technology Process of 3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)-

There total 3 articles about 3,6-Diazabicyclo(3.2.0)heptane, 3-(6-(1H-indol-5-yl)-3-pyridinyl)-6-methyl-, (1R,5R)- 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: 31.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-[6-(1H-indol-5-yl)-3-pyridinyl]-3,6-diazabicyclo[3.2.0]heptane → 5-(5-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridin-2-yl)-1H-indole (851523-11-0)

Guidance literature:

With sodium tris(acetoxy)borohydride; In water; acetonitrile; at 20 ℃; for 4h;

DOI:10.1016/j.bmc.2012.04.056

Reference yield:

tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate → 5-(5-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridin-2-yl)-1H-indole (851523-11-0)

Guidance literature:

Multi-step reaction with 4 steps

1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate / toluene / 20 h / 85 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / 1,4-dioxane; water / 1.5 h / 115 °C / Inert atmosphere

3: trifluoroacetic acid / dichloromethane / 2.25 h / 0 - 20 °C

4: sodium tris(acetoxy)borohydride / water; acetonitrile / 4 h / 20 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium tris(acetoxy)borohydride; sodium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; trifluoroacetic acid; sodium t-butanolate; In 1,4-dioxane; dichloromethane; water; toluene; acetonitrile; 1: Buchwald-Hartwig amination / 2: Suzuki coupling;

DOI:10.1016/j.bmc.2012.04.056

Reference yield:

3-(6-chloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate tert-butyl ester → 5-(5-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridin-2-yl)-1H-indole (851523-11-0)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / 1,4-dioxane; water / 1.5 h / 115 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 2.25 h / 0 - 20 °C

3: sodium tris(acetoxy)borohydride / water; acetonitrile / 4 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium tris(acetoxy)borohydride; sodium carbonate; trifluoroacetic acid; In 1,4-dioxane; dichloromethane; water; acetonitrile; 1: Suzuki coupling;

DOI:10.1016/j.bmc.2012.04.056

upstream raw materials:

formaldehyd

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 851523-11-0 A-859261

Send

Send

Metric Ton KG G Pound L ML

Send

Send