3,3-Dimethylglutarimide

Base Information

• Chemical Name: 3,3-Dimethylglutarimide
• CAS No.: 1123-40-6
• Molecular Formula: C7H11NO2
• Molecular Weight: 141.17
• Hs Code.: 29251995
• European Community (EC) Number: 214-373-4
• NSC Number: 99206,58194
• UNII: 5S2HK9A9UM
• DSSTox Substance ID: DTXSID7074454
• Nikkaji Number: J122.009H
• Wikidata: Q72470526
• Mol file: 1123-40-6.mol

Synonyms:4,4-dimethylpiperidine-2,6-dione

Chemical Property of 3,3-Dimethylglutarimide

Chemical Property:

• Appearance/Colour: white to white-grey crystalline powder
• Vapor Pressure: 0.0079mmHg at 25°C
• Melting Point: 144-146 °C(lit.)
• Refractive Index: 1.45
• Boiling Point: 268 °C at 760 mmHg
• PKA: 11.81±0.40(Predicted)
• Flash Point: 125.3 °C
• PSA: 46.17000
• Density: 1.054 g/cm³
• LogP: 0.77800
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

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

4,4-Dimethylpiperidine-2,6-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-43
• Safety Statements: 26-36/37-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC(=O)NC(=O)C1)C
• Uses: 3,3'-dimethylglutarimide were used as the barbital subsitutes. 3,3-di-methyl-glutarimide is involved formation of the heterodimer.

Technology Process of 3,3-Dimethylglutarimide

There total 23 articles about 3,3-Dimethylglutarimide 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: 71.0%

3,3-dimethylglutaric anhydride (4160-82-1) → 3,3-dimethyl glutarimide (1123-40-6)

Guidance literature:

With ammonium acetate; at 155 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c3cc42851f DOI:10.1039/c3cc42851f

Reference yield:

4,4-dimethyl-6-acetonylpiperid-2-one (38597-82-9) → 3,3-dimethyl glutarimide (1123-40-6)

Guidance literature:

With potassium permanganate; In water; Ambient temperature;

Reference yield:

6-(2'-hydroxypropyl)-4,4-dimethylpiperid-2-one → 3,3-dimethyl glutarimide (1123-40-6)

Guidance literature:

With potassium permanganate; In water; Ambient temperature;

upstream raw materials:

3,3-dimethylglutaric anhydride

formamide

urea

4,4-dimethyl-2,6-dioxo-piperidine-3-carbonitrile

Downstream raw materials:

4,4-dimethylpiperidine

3,3-Dimethylglutaric acid

4,4-dimethylpiperidin-2-one

gepirone

Refernces

• 1、 Yip, Roderick W.,Chow, Yuan L.,Beddard, Carol. "Flash Photolysis of N-Bromo-3,3-dimethylglutarimide: Detection of the Imidyl Radical". . p. 955 - 956. Retrieved 1981.
• 2、 Young, Michael C.,Liew, Erica,Ashby, Jonathan,McCoy, Kelsi E.,Hooley, Richard J.. "Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly". supporting information. p. 6331 - 6333. Retrieved 2013/08/23.