6,6-DIMETHYL-5-OXOHEPTANOIC ACID

Base Information

• Chemical Name: 6,6-DIMETHYL-5-OXOHEPTANOIC ACID
• CAS No.: 171557-83-8
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.224
• Hs Code.: 2918300090
• Mol file: 171557-83-8.mol

Synonyms:AKOS BC-0837;6,6-DIMETHYL-5-OXOHEPTANOIC ACID

Chemical Property of 6,6-DIMETHYL-5-OXOHEPTANOIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 298.886°C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 148.79°C
• PSA: 54.37000
• Density: 1.02g/cm³
• LogP: 1.85650

Purity/Quality:

6,6-dimethyl-5-oxoheptanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6,6-DIMETHYL-5-OXOHEPTANOIC ACID

There total 5 articles about 6,6-DIMETHYL-5-OXOHEPTANOIC ACID 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:

3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene (17510-46-2) → 6,6-Dimethyl-5-oxoheptanoic acid (171557-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: titanium tetrachloride / dichloromethane / 0.5 h / -78 °C

2: sodium hydroxide / tetrahydrofuran / 2 h

With titanium tetrachloride; sodium hydroxide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.orglett.9b01893

Reference yield:

C10H18O3 → 6,6-Dimethyl-5-oxoheptanoic acid (171557-83-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 2h;

DOI:10.1021/acs.orglett.9b01893

Reference yield:

2-(2,2-Dimethyl-propionyl)-pentanedioic acid → 6,6-Dimethyl-5-oxoheptanoic acid (171557-83-8)

Guidance literature:

With sulfuric acid; Yield given;

DOI:10.1021/jo00126a021

upstream raw materials:

Methyl 4,4-dimethyl-3-oxopentanoate

Diethyl (1-pivaloyl)glutarate

3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene

Refernces

• 1、 Hartung,Gallou. "Ring closure reactions of substituted 4-pentenyl-1-oxy radicals. The stereoselective synthesis of functionalized disubstituted tetrahydrofurans". . p. 6706 - 6716. Retrieved 2007/10/03.