2,6-Di-tert-butyl-4-methylcyclohexanone

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-methylcyclohexanone
• CAS No.: 23790-39-8
• Molecular Formula: C15H28 O
• Molecular Weight: 224.387
• NSC Number: 22256
• DSSTox Substance ID: DTXSID70281627
• Mol file: 23790-39-8.mol

Synonyms:2,6-di-tert-butyl-4-methylcyclohexanone;23790-39-8;2,6-ditert-butyl-4-methylcyclohexan-1-one;2,6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE;NSC22256;Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl-;SCHEMBL6438979;DTXSID70281627;BCP30901;MFCD27976821;NSC-22256;BS-52287;CS-0188252;D4385;T70616

Chemical Property of 2,6-Di-tert-butyl-4-methylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.00293mmHg at 25°C
• Refractive Index: 1.4590-1.4630
• Boiling Point: 284.7°Cat760mmHg
• Flash Point: 118.5°C
• PSA: 17.07000
• Density: 0.878g/cm³
• LogP: 4.31000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 224.214015512
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

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

2,6-Di-tert-butyl-4-methylcyclohexanone (mixture of isomers) >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C

Technology Process of 2,6-Di-tert-butyl-4-methylcyclohexanone

There total 1 articles about 2,6-Di-tert-butyl-4-methylcyclohexanone 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:

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-di-tert-butyl-4-methylcyclohexanone (23790-39-8)

Guidance literature:

With nickel; at 180 - 240 ℃; under 125036 Torr; Hydrogenation;

DOI:10.1021/ja01202a050

Reference yield:

2,6-di-tert-butyl-4-methylcyclohexanone (23790-39-8) → 2,6-di-tert-butyl-4-methylcyclohexanol (163119-16-2)

Guidance literature:

With hydrogen; at 200 ℃; under 45004.5 Torr; Temperature; Pressure;

Reference yield:

2,4-di-t-butyl-3-methyl phenol (608-48-0) + 2,6-di-tert-butyl-4-methylcyclohexanone (23790-39-8) → 2,6-di-tert-butyl-4-methylcyclohexanol (163119-16-2)

Guidance literature:

With hydrogenchloride; aluminum nickel; In tetrahydrofuran; methanol; ethyl acetate; isopropyl alcohol;

upstream raw materials:

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

2,6-di-tert-butyl-4-methylcyclohexanol

Refernces

• 1、 -. "Method of preparing 2,6-di-tert-butyl-4-methylcyclohexanol through continuous catalysis". Paragraph 0020; 0021; 0022; 0023; 0024; 0025; 0026. . Retrieved 2019/05/15.