2,2,4,4-Tetramethylcyclopentanone

Base Information

• Chemical Name: 2,2,4,4-Tetramethylcyclopentanone
• CAS No.: 4694-11-5
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2914299000
• European Community (EC) Number: 225-154-8
• UNII: BLV27DDC35
• DSSTox Substance ID: DTXSID70196989
• Nikkaji Number: J297.893H
• Wikidata: Q83069965
• Mol file: 4694-11-5.mol

Synonyms:2,2,4,4-TETRAMETHYLCYCLOPENTANONE;4694-11-5;2,2,4,4-Tetramethylcyclopentan-1-one;2,2,4,4-Tetramethyl-cyclopentanone;Cyclopentanone, 2,2,4,4-tetramethyl-;EINECS 225-154-8;BLV27DDC35;SCHEMBL14278445;DTXSID70196989;2,2,4,4-Tetramethyl cyclopentanone;MFCD00045444;AKOS006272068;SB11520;AS-50377;CS-0054036;FT-0691308;P10045

Chemical Property of 2,2,4,4-Tetramethylcyclopentanone

Chemical Property:

• Vapor Pressure: 1.35mmHg at 25°C
• Boiling Point: 172.1°Cat760mmHg
• Flash Point: 51°C
• PSA: 17.07000
• Density: 0.865g/cm³
• LogP: 2.40170
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2,2,4,4-Tetramethylcyclopentanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,2,4,4-Tetramethylcyclopentanone

There total 8 articles about 2,2,4,4-Tetramethylcyclopentanone 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: 86.6%

3,5,5-trimethyl-3-(trimethylstannyl)cyclohexanone (63831-53-8) → 2,2,4,4-tetramethylcyclopentanone (4694-11-5)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere;

Reference yield:

3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) → 2,2,4,4-tetramethylcyclopentanone (4694-11-5)

Guidance literature:

With hydrogenchloride; mercury; zinc;

DOI:10.1039/jr9650005943

Reference yield:

2,2,4,4-Tetramethylhexanedioic acid (25162-95-2) → 2,2,4,4-tetramethylcyclopentanone (4694-11-5)

Guidance literature:

With barium dihydroxide; manganese(II)carbonate; at 250 - 255 ℃;

DOI:10.1021/jo01074a008

upstream raw materials:

2,4,4-trimethylcyclopentan-1-one

1-hydroxy-2,2,4,4-tetramethyl-cyclopentanecarboxylic acid

3,5,5-Trimethylcyclohex-2-en-1-one

2,2,4,4-Tetramethylhexanedioic acid

Downstream raw materials:

1,1,3,3-Tetramethyl-cyclopenten-⁽⁴⁾

3-Methoxy-4,4,6,6-tetramethyl-cyclohex-2-enone

2-Diazo-4,4,6,6-tetramethyl-cyclohexane-1,3-dione

4,4,6,6-Tetramethyl-cyclohexane-1,3-dione

Refernces

• 1、 -. "Modulators of Cystic Fibrosis Transmembrane Conductance Regulator". . . Retrieved 2016/05/02.
• 2、 Sato, Tadashi,Watanabe, Masami,Murayama, Eigoro. "THE REACTION OF β-STANNYL CARBONYL COMPOUNDS WITH LEWIS ACIDS". . p. 1621 - 1624. Retrieved 2007/10/02.