4-Methoxycyclohexanone

Base Information

• Chemical Name: 4-Methoxycyclohexanone
• CAS No.: 13482-23-0
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID90336623
• Nikkaji Number: J108.758D
• Wikidata: Q72489647
• Mol file: 13482-23-0.mol

Synonyms:4-methoxycyclohexanone

Chemical Property of 4-Methoxycyclohexanone

Chemical Property:

• Vapor Pressure: 0.574mmHg at 25°C
• Refractive Index: 1.4560
• Boiling Point: 189.279 °C at 760 mmHg
• Flash Point: 68.844 °C
• PSA: 26.30000
• Density: 0.988 g/cm³
• LogP: 1.14450
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 99.5

Purity/Quality:

99.0% ^*data from raw suppliers

4-Methoxycyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CCC(=O)CC1
• Uses: 4-Methoxycyclohexanone is a substituted cyclohexanone used in the preparation of various organic compounds such as antitumor agents.

Technology Process of 4-Methoxycyclohexanone

There total 20 articles about 4-Methoxycyclohexanone 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: 100.0%

4-methoxycyclohexanone ethylene ketal (56292-99-0) → 4-methoxycyclohexanone (13482-23-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 0.5h; Inert atmosphere; Reflux;

DOI:10.1021/jo200950s

Reference yield: 99.1%

4-methoxycyclohexan-1-ol (18068-06-9) → 4-methoxycyclohexanone (13482-23-0)

Guidance literature:

With phosphotungstic acid; dihydrogen peroxide; In water; at 90 ℃; for 0.966667h; Time; Temperature; Molecular sieve;

Reference yield: 99.0%

4-methoxy-phenol (150-76-5) → 4-methoxycyclohexanone (13482-23-0)

Guidance literature:

With sodium formate; sodium hydroxide; In water; at 120 ℃; pH=12;

DOI:10.1016/j.mcat.2021.111613

upstream raw materials:

cyclohexanedione monoethylene ketal

4-methoxy-phenol

1,4-Cyclohexanediol

4-methoxycyclohexan-1-ol

Downstream raw materials:

(+/-)-2-((E)-2-cyclohexyliden-ethylidene)-4-methoxy-cyclohexanone

4-methoxy-1-methylcyclohexan-1-ol

1-ethynyl-4-methoxycyclohexan-1-ol

(4-methoxy-cyclohex-1-enyl)-acetonitrile

Refernces

• 1、 Mateos et al.. "". . p. 2826. Retrieved 1972.
• 2、 Campana, Filippo,Ferlin, Francesco,Silvetti, Matteo,Trombettoni, Valeria,Vaccaro, Luigi,Valentini, Federica. "POLITAG-Pd(0) catalyzed continuous flow hydrogenation of lignin-derived phenolic compounds using sodium formate as a safe H-source". . . Retrieved 2021/07/09.
• 3、 -. "Synthesis method of 4-substituent cyclohexanone". . . Retrieved 2021/05/12.