3-Hydroxy-3-methylglutaric anhydride

Base Information

• Chemical Name: 3-Hydroxy-3-methylglutaric anhydride
• CAS No.: 34695-32-4
• Molecular Formula: C6H8 O4
• Molecular Weight: 144.127
• Hs Code.: 2918199090
• ChEMBL ID: CHEMBL154796
• DSSTox Substance ID: DTXSID20412429
• Nikkaji Number: J724.146A
• Wikidata: Q82219781
• Mol file: 34695-32-4.mol

Synonyms:3-HMG anhydride;3-hydroxy-3-methylglutaric anhydride

Chemical Property of 3-Hydroxy-3-methylglutaric anhydride

Chemical Property:

• Vapor Pressure: 3.8E-05mmHg at 25°C
• Melting Point: 97-99°C
• Boiling Point: 315.2°C at 760 mmHg
• PKA: 13.11±0.20(Predicted)
• Flash Point: 138.3°C
• PSA: 63.60000
• Density: 1.36g/cm³
• LogP: -0.39900
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Acetone (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

98%Min ^*data from raw suppliers

3-Hydroxy-3-methylglutaric Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-3-methylglutaric anhydride

There total 5 articles about 3-Hydroxy-3-methylglutaric anhydride 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: 99.0%

meglutol (503-49-1) → 3-hydroxy-3-methylglutaric anhydride (34695-32-4)

Guidance literature:

With acetic anhydride; at 20 ℃; for 16h;

DOI:10.1002/anie.201905482

Reference yield:

meglutol (503-49-1) → 3-hydroxy-3-methylglutaric anhydride (34695-32-4) + 1,3-Dicyclohexylurea (2387-23-7)

Guidance literature:

With dicyclohexyl-carbodiimide; In acetone; at 46 ℃; for 3h;

DOI:10.1039/P19830001417

Reference yield:

1,1-diallylethanol (25201-40-5) → 3-hydroxy-3-methylglutaric anhydride (34695-32-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) O₃, 2.) H₂O₂ / 1.) CH₂Cl₂, CH₃COOH, -78 deg C, 2.) CH₃COOH

2: (CH₃CO)2O / 14 h / Ambient temperature

With dihydrogen peroxide; acetic anhydride; ozone;

DOI:10.1039/c39800000400

upstream raw materials:

meglutol

Acetic anhydride-d6

1,1-diallylethanol

Downstream raw materials:

DL-3-hydroxy-3-methylglutaryl coenzyme A

(+)-dicrotaline

13-epi-dicrotaline

mevalonolactone