3,3-Dimethylpentanedioate;hydron

Base Information

• Chemical Name: 3,3-Dimethylpentanedioate;hydron
• CAS No.: 4839-46-7
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• Hs Code.: 29171990
• Mol file: 4839-46-7.mol

Synonyms:3,3-dimethylpentanedioate;hydron

Chemical Property of 3,3-Dimethylpentanedioate;hydron

Chemical Property:

• Appearance/Colour: white to beige fine crystalline powder
• Vapor Pressure: 0.000264mmHg at 25°C
• Melting Point: 100-102 °C(lit.)
• Refractive Index: 1.4336 (estimate)
• Boiling Point: 300.4 °C at 760 mmHg
• PKA: pK1:3.70;pK2:6.34 (25°C)
• Flash Point: 149.7 °C
• PSA: 74.60000
• Density: 1.2 g/cm³
• LogP: 0.96200
• Storage Temp.: Store at RT.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

3,3-Dimethylglutaric acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].[H+].CC(C)(CC(=O)[O-])CC(=O)[O-]
• Uses: 3,3-Dimethylglutaric acid can be used as reactant involved in: Cyclodehydration of diols; Synthesis of conjugates of betulin derivatives used as anti-HIV agents; Preparation of dimeric peptide antagonists of IgG-FcRn interaction; Microwave-assisted protection of glutaraldehyde; Synthesis of glycyrrhetinic acid derivatives for proteasome inhibition; Catalytic, asymmetric transannular aldolizations. 3,3-Dimethylglutaric Acid is a versatile reactant used in the synthesis of (+)-Hirsutene via catalytic asymmetric transannular aldolization. Reactant involved in:Cyclodehydration of diolsSynthesis of conjugates of betulin derivatives used as anti-HIV agentsPreparation of dimeric peptide antagonists of IgG-FcRn interactionMicrowave-assisted protection of glutaraldehydeSynthesis of glycyrrhetinic acid derivatives for proteasome inhibitionCatalytic, asymmetric transannular aldolizations

Technology Process of 3,3-Dimethylpentanedioate;hydron

There total 63 articles about 3,3-Dimethylpentanedioate;hydron 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: 97.0%

3-(R,S),5-(R,S)-3,5-dicyano-4,4-dimethyl-2,6-dioxopiperidine (61193-04-2) → 3,3-Dimethylglutaric acid (4839-46-7)

Guidance literature:

With sulfuric acid; water;

DOI:10.1021/jo00347a013

Reference yield: 61.0%

3,3-dimethylglutaric anhydride (4160-82-1) → 3,3-Dimethylglutaric acid (4839-46-7)

Guidance literature:

With potassium superoxide; tetraethylammonium bromide; In N,N-dimethyl-formamide; at 25 ℃; for 12h;

Reference yield: 50.0%

dimedone (126-81-8) → 3,3-Dimethylglutaric acid (4839-46-7)

Guidance literature:

With iodopentafluorobenzene bis(trifluoroacetate); In water; benzene; Mechanism;

DOI:10.1039/c39870000202

upstream raw materials:

2,2-dimethyl-1,1,3,3-tetraethoxycarbonylpropane

3-(R,S),5-(R,S)-3,5-dicyano-4,4-dimethyl-2,6-dioxopiperidine

5-cyano-2-imino-4,4-dimethyl-6-oxo-piperidine-3-carboxylic acid amide

2-bromodimedone

Downstream raw materials:

methyl 3,3-dimethylglutarate

N,3,3-trimethylglutarimide

diethyl 3,3-dimethylglutarate

3,3-dimethylglutaric anhydride