2-Methoxy-4-methylcyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-Methoxy-4-methylcyclohepta-2,4,6-trien-1-one
• CAS No.: 90536-08-6
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• NSC Number: 100920
• DSSTox Substance ID: DTXSID40920334
• Mol file: 90536-08-6.mol

Synonyms:2-methoxy-4-methylcyclohepta-2,4,6-trien-1-one;90536-08-6;NSC100920;DTXSID40920334;AS-0204;NSC-100920

Chemical Property of 2-Methoxy-4-methylcyclohepta-2,4,6-trien-1-one

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Boiling Point: 290.6°Cat760mmHg
• Flash Point: 137.9°C
• Density: 1.05g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC(=O)C(=C1)OC

Technology Process of 2-Methoxy-4-methylcyclohepta-2,4,6-trien-1-one

There total 2 articles about 2-Methoxy-4-methylcyclohepta-2,4,6-trien-1-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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-methyltropolone (583-80-2) → 2-methoxy-4-methyl-cycloheptatrienone (90536-08-6) + 2-methoxy-6-methyl-cycloheptatrienone (90642-52-7)

Guidance literature:

With diethyl ether;

DOI:10.1246/bcsj.26.272 DOI:10.1007/BF03182835

Reference yield:

→ 2-methoxy-4-methyl-cycloheptatrienone (90536-08-6)

Guidance literature:

aus 1-Methoxy-6-methyl-bicyclo<3.2.0>heptadien-(3,6)-2-on <Δ 360grad, N2>;

DOI:10.1021/ja00900a021

Reference yield:

2-methoxy-4-methyl-cycloheptatrienone (90536-08-6) → 2-hydroxy-2,4,6-cycloheptatrien-1-one (533-75-5)

Guidance literature:

Multi-step reaction with 3 steps

1: SeO₂; dioxane

2: Ag₂O; aqueous NaOH

3: copper; quinoline

With 1,4-dioxane; quinoline; sodium hydroxide; selenium(IV) oxide; copper; silver(l) oxide;

DOI:10.1007/BF03182835

upstream raw materials:

diazomethane

4-methyltropolone

Downstream raw materials:

5-methyl-2-phenyl-cycloheptatrienone

2-hydroxy-2,4,6-cycloheptatrien-1-one