8a,10a-Dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione

Base Information

• Chemical Name: 8a,10a-Dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione
• CAS No.: 14772-28-2
• Molecular Formula: C₂₇H₄₄N₂O₂
• Molecular Weight: 428.659
• NSC Number: 136991
• DSSTox Substance ID: DTXSID00300431

Synonyms:14772-28-2;NSC136991;8a,10a-dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione;DTXSID00300431;NSC-136991

Chemical Property of 8a,10a-Dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione

Chemical Property:

• Vapor Pressure: 9.15E-15mmHg at 25°C
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 428.34027865
• Heavy Atom Count: 31
• Complexity: 744

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)NC4=CNC(=O)CCC34C)C

Technology Process of 8a,10a-Dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione

There total 3 articles about 8a,10a-Dimethyl-11-(6-methylheptan-2-yl)-3,5,7,8,8a,8b,9,10,10a,11,12,13,13a,13b-tetradecahydro-1h-azepino[3,4-b]indeno[5,4-d]azepine-2,6-dione 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:

(1R,3aS,3bS,10aR,10bS,12aR)-1-((R)-1,5-Dimethyl-hexyl)-10a,12a-dimethyl-2,3,3a,3b,4,9,10,10a,10b,11,12,12a-dodecahydro-1H,6H-benzo[b]indeno[5,4-d]azepine-5,8-dione 8-oxime (76043-51-1) + p-toluenesulfonyl chloride (98-59-9) → 6-aza-B-homocholest-4-ene-3,7-dione (40228-30-6) + 3,6-diaza-A-homo-B-homocholest-4a-ene-3,7-dione (76043-52-2) + 4,6-diaza-A-homo-B-homocholest-4a-ene-4,7-dione (14772-28-2) + C34H50N2O4S

Guidance literature:

With pyridine; for 1.5h; Ambient temperature;

Reference yield:

→ 4,6-diaza-4a,7a-dihomo-cholest-4a-ene-3,7-dione (14772-28-2)

Guidance literature:

Homocholesten (2), Polyphosphorsaeure;

Reference yield:

→ 4,6-Diaza-A,B-bishomo-cholest-4a-en-3,7-dion (14772-28-2)

Guidance literature:

Cholest-4-en-3,6-dion (I), 2 Mol NaN3;

upstream raw materials:

(1R,3aS,3bS,10aR,10bS,12aR)-1-((R)-1,5-Dimethyl-hexyl)-10a,12a-dimethyl-2,3,3a,3b,4,9,10,10a,10b,11,12,12a-dodecahydro-1H,6H-benzo[b]indeno[5,4-d]azepine-5,8-dione 8-oxime

p-toluenesulfonyl chloride

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