3,5-Octanedione, 2,2,7-trimethyl-

Base Information

• Chemical Name: 3,5-Octanedione, 2,2,7-trimethyl-
• CAS No.: 69725-37-7
• Molecular Formula: C11H20O2
• Molecular Weight: 184.28
• Hs Code.: 2914190090
• European Community (EC) Number: 800-040-6
• DSSTox Substance ID: DTXSID2071992
• Nikkaji Number: J441.316D
• Wikidata: Q81999857
• Mol file: 69725-37-7.mol

Synonyms:2,2,7-trimethyloctane-3,5-dione;69725-37-7;2,2,7-Trimethyl-3,5-octanedione;3,5-Octanedione, 2,2,7-trimethyl-;SCHEMBL1262761;DTXSID2071992;MFCD00511279;3,5-Octanedione,2,2,7-trimethyl-;AKOS006227598;2,2,7-Trimethyl-3,5-octanedione #;2,2,7-TRIMETHYL-3,5-OCTADIONE;2,2,7-Trimethyloctane-3,5-dione, 97%;CS-0358921;FT-0609134;2,2,7-Trimethyl-3,5-octanedione, AldrichCPR

Chemical Property of 3,5-Octanedione, 2,2,7-trimethyl-

Chemical Property:

• Vapor Pressure: 0.0284mmHg at 25°C
• Refractive Index: 1.4580
• Boiling Point: 245.6 °C at 760 mmHg
• PKA: 10.24±0.10(Predicted)
• Flash Point: 90.1 °C
• PSA: 34.14000
• Density: 0.899 g/cm³
• LogP: 2.60690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

2,2,7-Trimethyloctane-3,5-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)CC(=O)C(C)(C)C

Technology Process of 3,5-Octanedione, 2,2,7-trimethyl-

There total 1 articles about 3,5-Octanedione, 2,2,7-trimethyl- 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: 65.0%

Methyl pivalate (598-98-1) + 4-methyl-2-pentanone (108-10-1) → 2,2,7-trimethyloctane-3,5-dione (69725-37-7)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 50 ℃; for 5h;

DOI:10.1080/00397910701572803

Reference yield: 86.0%

2,2,7-trimethyloctane-3,5-dione (69725-37-7) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)-3-methylbutanamide

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; for 8h; Green chemistry;

DOI:10.1039/c3gc41260a

Reference yield:

2,2,7-trimethyloctane-3,5-dione (69725-37-7) → silver(I) (2,2,7-trimethyl-3,5-octanedionate) (triphenylphosphine) (460347-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / methanol; acetonitrile

2: toluene

With triethylamine; In methanol; toluene; acetonitrile;

DOI:10.1016/S0277-5387(02)00980-4

upstream raw materials:

Methyl pivalate

4-methyl-2-pentanone

Downstream raw materials:

bis(2,2,7-trimethyl-3,5-octanedionato)nickel(II)

tris(2,2,7-trimethyl-3,5-octanedionato)chromium(III)

tris(2,2,7-trimethyl-3,5-octanedionato)manganese(III)

bis(2,2,7-trimethyl-3,5-octanedionato)copper(II)