4,4-Dimethylcyclopentane-1,3-dione

Base Information

• Chemical Name: 4,4-Dimethylcyclopentane-1,3-dione
• CAS No.: 4683-51-6
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• European Community (EC) Number: 860-089-4
• DSSTox Substance ID: DTXSID60901488
• Nikkaji Number: J145.025E
• Mol file: 4683-51-6.mol

Synonyms:4,4-dimethylcyclopentane-1,3-dione;4,4-Dimethyl-1,3-cyclopentanedione;4683-51-6;1,3-Cyclopentanedione, 4,4-dimethyl-;NoName_612;SCHEMBL2612037;DTXSID60901488;4,4-dimethyl-cyclopentane-1,3-dione;BS-45532;E84596;EN300-1725951

Chemical Property of 4,4-Dimethylcyclopentane-1,3-dione

Chemical Property:

• Melting Point: 97 °C
• Boiling Point: 213.4±23.0 °C(Predicted)
• PKA: 9.02±0.40(Predicted)
• PSA: 34.14000
• Density: 1.050±0.06 g/cm3(Predicted)
• LogP: 0.94460
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)CC1=O)C

Technology Process of 4,4-Dimethylcyclopentane-1,3-dione

There total 16 articles about 4,4-Dimethylcyclopentane-1,3-dione 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:

ethyl 2,2-dimethyllevulinate (86164-69-4) → 5,5-dimethylcyclopentane-1,3-dione (4683-51-6)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; Yield given; -78 deg C -> room temp. (3 h), room temp. 4 h;

DOI:10.1021/ja00307a011

Reference yield:

2,2-dimethyl-3-(2-methyl-[1,3]dioxolan-2-yl)-propionic acid ethyl ester (13144-92-8) → 5,5-dimethylcyclopentane-1,3-dione (4683-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / 2 N HCl / diethyl ether / 1.5 h / Ambient temperature

2: n-butyllithium, diisopropylamine / tetrahydrofuran; hexane / -78 deg C -> room temp. (3 h), room temp. 4 h

With hydrogenchloride; n-butyllithium; diisopropylamine; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1021/ja00307a011

Reference yield:

2-bromomethyl-2-hydroxy-3,3-dimethylcyclobutanone (82102-43-0) → 5,5-dimethylcyclopentane-1,3-dione (4683-51-6)

Guidance literature:

With silver nitrate; In acetic acid; at 0 ℃; Yield given;

DOI:10.1016/S0040-4039(00)84477-9

upstream raw materials:

Ethyl 3,3-dimethyl-4-oxopentanoate

sodium ethanolate

3-methoxy-4,4-dimethylcyclopent-2-en-1-one

4.4-Dimethyl-cyclopentan-1.3-dion-carbonsaeure-⁽²⁾

Downstream raw materials:

2,2-dimethylsuccinic acid

2-Brom-4,4-dimethyl-cyclopentan-1,3-dion

chloroform

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 4683-51-6 4,4-Dimethyl-1,3-cyclopentanedione

Send

Send

Metric Ton KG G Pound L ML

Send

Send