4,4-Dimethylpentane-2,3-dione

Base Information

• Chemical Name: 4,4-Dimethylpentane-2,3-dione
• CAS No.: 40898-19-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• DSSTox Substance ID: DTXSID10522708
• Nikkaji Number: J328.146I
• Wikidata: Q82388221
• Mol file: 40898-19-9.mol

Synonyms:4,4-Dimethylpentane-2,3-dione;40898-19-9;SCHEMBL116714;DTXSID10522708

Chemical Property of 4,4-Dimethylpentane-2,3-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.19060
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,4-Dimethylpentane-2,3-dione

There total 7 articles about 4,4-Dimethylpentane-2,3-dione 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: 86.0%

4,4-dimethyl-2-pentyne (999-78-0) → 2,2-dimethyl-1-(oxiran-2-yl)propan-1-one (128075-71-8) + tert-butyl vinyl ketone (2177-30-2) + 4,4-dimethyl-2,3-pentanedione (40898-19-9) + Trimethylacetic acid (75-98-9)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In acetone; for 48h; Yields of byproduct given;

DOI:10.1021/jo00129a010

Reference yield: 58.0%

4,4-dimethyl-2-pentyne (999-78-0) → Methyl pivalate (598-98-1) + 4,4-dimethyl-2,3-pentanedione (40898-19-9) + 4-methoxy-2,2-dimethyl-pentan-3-one + Trimethylacetic acid (75-98-9)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In methanol; for 48h;

DOI:10.1021/jo00129a010

Reference yield: 58.0%

methanol (67-56-1) + 4,4-dimethyl-2-pentyne (999-78-0) → Methyl pivalate (598-98-1) + 4,4-dimethyl-2,3-pentanedione (40898-19-9) + 4-methoxy-2,2-dimethyl-pentan-3-one + Trimethylacetic acid (75-98-9)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); for 48h;

DOI:10.1021/jo00129a010

upstream raw materials:

N-(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl NFLX

N-(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl NFLX (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester

methanol

4,4-dimethyl-2-pentyne

Downstream raw materials:

N,N-Dibenzyl-4,4-dimethyl-2,3-dioxopentanthioamid

5,5-dimethyl-1t-phenyl-hex-1-ene-3,4-dione

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