2-Methoxycyclohexanone

Base Information

• Chemical Name: 2-Methoxycyclohexanone
• CAS No.: 7429-44-9
• Deprecated CAS: 87938-34-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2914509090
• European Community (EC) Number: 231-071-8
• DSSTox Substance ID: DTXSID20864060
• Nikkaji Number: J236.632K
• Wikidata: Q82854490
• Mol file: 7429-44-9.mol

Synonyms:2-methoxycyclohexanone

Chemical Property of 2-Methoxycyclohexanone

Chemical Property:

• Vapor Pressure: 0.574mmHg at 25°C
• Melting Point: 163 °C
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 185 °C750 mm Hg(lit.)
• Flash Point: 157 °F
• PSA: 26.30000
• Density: 1.02 g/mL at 25 °C(lit.)
• LogP: 1.14450
• Storage Temp.: Refrigerator
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

α-Methoxycyclohexanone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1CCCCC1=O
• Uses: α-Methoxycyclohexanone is a useful reagent in the syntehsis of a catalyst, trans-?RuH(η1-?BH4)?(binap)?(1,?2-?diamine). 2-Methoxycyclohexanone was used in the synthesis of 2-(carbomethoxy)cyclohex-2-en-1-one.

Technology Process of 2-Methoxycyclohexanone

There total 51 articles about 2-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: 90.0%

2-Chlorocyclohexanone (822-87-7) → 2-methoxycyclohexanone (7429-44-9)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield: 90.0%

2-methoxy-phenol (90-05-1) → 2-methoxycyclohexanone (7429-44-9)

Guidance literature:

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

DOI:10.1016/j.mcat.2021.111613

Reference yield: 80.0%

methanol (67-56-1) + cyclohexane-1,2-epoxide (286-20-4) → 2-methoxycyclohexanone (7429-44-9)

Guidance literature:

With potassium peroxomonosulfate; molybdenum(VI) dichloride dioxide; Heating;

DOI:10.1055/s-2008-1032163

upstream raw materials:

cyclohexanone-2-ol

methanol

N-benzylcyclohexylimine

1-cyclohexenyl acetate

Downstream raw materials:

(+)-2-methoxy-1-(pyrid-3-yl)cyclohexanol

2-methoxymethylenecyclohexane

2-methoxycyclohexylidenemalononitrile

2-methoxycyclohexanone dimethyl acetal

Refernces

• 1、 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.
• 2、 Ichitsuka, Tomohiro,Kobayashi, Shū,Koumura, Nagatoshi,Sato, Kazuhiko,Takahashi, Ikko. "Continuous Synthesis of Aryl Amines from Phenols Utilizing Integrated Packed-Bed Flow Systems". supporting information. p. 15891 - 15896. Retrieved 2020/07/13.