Cyclobutanone, 2,2,3,3-tetramethyl-

Base Information

• Chemical Name: Cyclobutanone, 2,2,3,3-tetramethyl-
• CAS No.: 4070-14-8
• Molecular Formula: C8H14O
• Molecular Weight: 126.19600
• Hs Code.: 2914299000
• European Community (EC) Number: 887-185-9
• DSSTox Substance ID: DTXSID50481188
• Nikkaji Number: J100.571E
• Wikidata: Q82316444
• Mol file: 4070-14-8.mol

Synonyms:Cyclobutanone, 2,2,3,3-tetramethyl-;4070-14-8;2,2,3,3-TETRAMETHYLCYCLOBUTAN-1-ONE;SCHEMBL11483159;DTXSID50481188;2,2,3,3-tetramethyl cyclobutanone;EN300-7625655

Chemical Property of Cyclobutanone, 2,2,3,3-tetramethyl-

Chemical Property:

• PSA: 17.07000
• LogP: 2.01160
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclobutanone, 2,2,3,3-tetramethyl-

There total 6 articles about Cyclobutanone, 2,2,3,3-tetramethyl- 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: 85.0%

dichloro-2,2-tetramethyl-3,3,4,4 cyclobutanone (66239-90-5) → 2,2,3,3-tetramethylcyclobutanone (4070-14-8)

Guidance literature:

With acetic acid; zinc; at 60 ℃; for 15h;

DOI:10.1002/prac.19973390141

Reference yield:

2-isopropylidene-5,5-dimethyl-[1,3]dioxane-4,6-dione (4858-67-7) + isobutene (115-11-7,15220-85-6) → 2,2,3,3-tetramethylcyclobutanone (4070-14-8)

Guidance literature:

With potassium carbonate; In toluene; at 140 ℃;

Reference yield:

2,3-Dimethyl-2-butene (563-79-1) → 2,2,3,3-tetramethylcyclobutanone (4070-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc/copper couple / diethyl ether / 19 h / Inert atmosphere; Reflux

2: zinc/copper couple; ammonium chloride / methanol / 4 h / 20 - 45 °C / Inert atmosphere

With zinc/copper couple; ammonium chloride; In methanol; diethyl ether;

DOI:10.1248/cpb.60.793

upstream raw materials:

isobutyryl chloride

isobutene

1,1-dibromo-2,2-dimethylcyclopropane

acetone

Downstream raw materials:

(+/-)-5-chloro-1-hydroxy-2,2,5-trimethyl-1-phenylhexan-3-one