8-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one

Base Information

• Chemical Name: 8-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
• CAS No.: 5720-82-1
• Molecular Formula: C16H18O2
• Molecular Weight: 242.3129
• NSC Number: 88890
• DSSTox Substance ID: DTXSID40293358
• ChEMBL ID: CHEMBL1879197

Synonyms:MLS002694873;5720-82-1;NSC88890;CHEMBL1879197;DTXSID40293358;HMS3092A03;NSC-88890;SMR001560788

Chemical Property of 8-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one

Chemical Property:

• Vapor Pressure: 5.62E-05mmHg at 25°C
• Boiling Point: 346.8°Cat760mmHg
• Flash Point: 145.9°C
• Density: 1.14g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.130679813
• Heavy Atom Count: 18
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3=C2C=CC=C3OC

Technology Process of 8-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one

There total 21 articles about 8-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-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: 71.0%

4-Methoxy-2-[2-(2-methoxy-phenyl)-ethyl]-1-methyl-benzene (61582-78-3) → 8-methoxy-4a-methyl-4,4a,9,10-tetrahydro-3H-phenanthren-2-one (5720-82-1)

Guidance literature:

With hydrogen fluoride; antimony pentafluoride; at 0 ℃; for 6h;

DOI:10.1016/S0040-4020(01)88438-6

Reference yield:

(1R,9R)-10-Hydroxy-6-methoxy-1,10-dimethyl-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one (120303-36-8) → (S)-phenantrone (5720-82-1,40266-31-7,120330-89-4)

Guidance literature:

With sodium methylate; In methanol; at 55 ℃; for 48h; Yield given;

DOI:10.1016/S0040-4039(00)80513-4

Reference yield:

1-methyl-5-methoxy-2-tetralone (42263-75-2) + diethyl-methyl-(3-oxo-butyl)-ammonium; iodide (43025-83-8) → 8-methoxy-4a-methyl-4,4a,9,10-tetrahydro-3H-phenanthren-2-one (5720-82-1)

Guidance literature:

With sodium;

DOI:10.1021/ja00960a035

upstream raw materials:

pyridine

4-chloro-2-butanone

1-methyl-5-methoxy-2-tetralone

8-hydroxy-4a-methyl-4,4a,9,10-tetrahydro-3H-phenanthren-2-one

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