17-Ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one

Base Information

• Chemical Name: 17-Ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
• CAS No.: 11032-05-6
• Molecular Formula: C₂₈H₄₁N₃O₂
• Molecular Weight: 451.652
• Mol file: 11032-05-6.mol

Synonyms:PD119409

Chemical Property of 17-Ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one

Chemical Property:

• Vapor Pressure: 9.48E-19mmHg at 25°C
• Melting Point: 231.25°C
• Refractive Index: 1.7800 (estimate)
• Boiling Point: 667.9°Cat760mmHg
• Flash Point: 357.7°C
• PSA: 71.85000
• Density: 1.088g/cm³
• LogP: 5.15400
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 451.31987756
• Heavy Atom Count: 33
• Complexity: 753

Purity/Quality:

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

TELEOCIDINB-4 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)NC(CC2=CNC3=C4C(=CC(=C23)N1C)C(CCC4(C)C=C)(C)C(C)C)CO

Technology Process of 17-Ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one

There total 132 articles about 17-Ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one 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: 72.0%

C30H43N3O3 (138424-07-4,138512-78-4,138512-79-5,138513-73-2) → ent-Teleocidin B-3 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4) + teleocidin B-4 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4)

Guidance literature:

With potassium carbonate; In methanol; at 0 ℃; for 0.666667h;

DOI:10.1016/S0040-4020(01)82399-1

Reference yield: 72.0%

C30H43N3O3 (138424-07-4,138512-78-4,138512-79-5,138513-73-2) → ent-Teleocidin B-3 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4) + teleocidin B-4 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4)

Guidance literature:

With potassium carbonate; In methanol; at 0 ℃; for 0.666667h;

DOI:10.1016/S0040-4020(01)82399-1

Reference yield: 70.5%

C30H43N3O3 (138424-07-4,138512-78-4,138512-79-5,138513-73-2) → ent-Teleocidin B-4 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4) + teleocidin B-3 (11032-05-6,95044-71-6,95189-05-2,95189-06-3,114247-84-6,114247-88-0,123539-25-3,123539-26-4)

Guidance literature:

With potassium carbonate; In methanol; at 0 ℃; for 0.666667h;

DOI:10.1016/S0040-4020(01)82399-1

upstream raw materials:

C₂₇H₃₉N₃O₂

methyl iodide

2-((6S,9S)-6-Isopropyl-6,9-dimethyl-4-nitro-6,7,8,9-tetrahydro-1H-benzo[g]indol-9-yl)-ethanol

4-Hydroxy-8-isopropyl-5a,8-dimethyl-10-nitro-4,5,5a,6,7,8-hexahydro-benzo[de]pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid methyl ester

Refernces

C-C bond formation via C-H bond activation: Synthesis of the core of teleocidin B4

10.1021/ja027311p

The research aims to develop a novel synthetic method for constructing complex organic molecules by forming C-C bonds through C-H activation, thereby reducing the need for multiple reactive functional groups in coupling reactions. The study focuses on synthesizing the core structure of teleocidin B4, a natural product with significant biological activity, using a series of C-C bond-forming steps that involve C-H bond functionalization. Key chemicals used include tert-butyl aniline derivatives, Pd(II) salts (specifically PdCl2) for cyclometalation, NaOAc as a base, vinyl boronic acids for transmetalation, and methanesulfonic acid for Friedel-Crafts reactions. The researchers successfully synthesized the teleocidin B4 core through a sequence of reactions involving alkenylation, Friedel-Crafts hydroarylation, diastereoselective carbonylation, and intramolecular alkenylation coupling. The final product was obtained in 57% yield after optimization of reaction conditions. The study concludes that C-H bond activation provides a powerful and efficient approach to synthesizing complex natural products, potentially inspiring new chemical transformations and synthetic strategies in organic chemistry.

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