3a-Methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-dione

Base Information

• Chemical Name: 3a-Methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-dione
• CAS No.: 6636-42-6
• Molecular Formula: C₁₇H₁₄O₃
• Molecular Weight: 266.296
• NSC Number: 51546
• DSSTox Substance ID: DTXSID10287547
• Mol file: 6636-42-6.mol

Synonyms:6636-42-6;3a-methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-dione;NSC51546;DTXSID10287547;NSC-51546

Chemical Property of 3a-Methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-dione

Chemical Property:

• Vapor Pressure: 3.27E-09mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12C(CCC3=C1C=CC4=CC=CC=C34)C(=O)OC2=O

Technology Process of 3a-Methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-dione

There total 1 articles about 3a-Methyl-3a,10,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3-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:

1-vinylnaphthalene (826-74-4,29793-40-6) + citraconic acid anhydride (616-02-4) → (+/-)-1-methyl-1,2,3,4-tetrahydro-phenanthrene-1r,2c-dicarboxylic acid-anhydride (6636-42-6,108983-47-7)

Guidance literature:

With propionic acid; Erwaermen des Reaktionsgemisches mit wss. Natronlauge und Erhitzen des Reaktionsprodukts unter 0.05 Torr bis auf 200grad;

DOI:10.1021/ja01184a049

Reference yield:

water (7732-18-5) + (+/-)-1-methyl-1,2,3,4-tetrahydro-phenanthrene-1r,2c-dicarboxylic acid-anhydride (6636-42-6,108983-47-7) → 1-methylphenanthrene (832-69-9)

Guidance literature:

Aus dem Calcium-Salz unter vermindertem Druck und Erhitzen des Reaktionsprodukts mit Palladium/Kohle unter Stickstoff auf 310grad;

DOI:10.1021/ja01184a049

upstream raw materials:

1-vinylnaphthalene

citraconic acid anhydride

Downstream raw materials:

1-methylphenanthrene