1-(Dimethylamino)-6-methylheptan-3-one

Base Information

• Chemical Name: 1-(Dimethylamino)-6-methylheptan-3-one
• CAS No.: 107245-26-1
• Molecular Formula: C₁₀H₂₁NO
• Molecular Weight: 171.283
• DSSTox Substance ID: DTXSID40549044
• Wikidata: Q82427918
• Mol file: 107245-26-1.mol

Synonyms:1-(Dimethylamino)-6-methylheptan-3-one;107245-26-1;1-(Dimethylamino)-6-methyl-3-heptanone;3-Heptanone, 1-(dimethylamino)-6-methyl-;DTXSID40549044;MFCD22683883;AKOS022173162;DS-7164;CS-0154234;C71275;EN300-7886829;A903746

Chemical Property of 1-(Dimethylamino)-6-methylheptan-3-one

Chemical Property:

• Boiling Point: 78-80 °C(Press: 3 Torr)
• Density: 0.8561 g/cm3(Temp: 19 °C)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 171.162314293
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

1-(Dimethylamino)-6-methyl-3-heptanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC(=O)CCN(C)C
• Uses: 1-(Dimethylamino)-6-methyl-3-heptanone is a useful reagent for preparaiton of enol boranes of methyl ketones.

Technology Process of 1-(Dimethylamino)-6-methylheptan-3-one

There total 5 articles about 1-(Dimethylamino)-6-methylheptan-3-one 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: 16.4%

1,3,5-Trioxan (110-88-3) + N,N-dimethylammonium chloride (506-59-2) + 5-Methyl-2-hexanone (110-12-3) → 1-(dimethylamino)-6-methyl-3-heptanone (107245-26-1) + 3-[(dimethylamino)methyl]-5-methylhexan-2-one (91342-74-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 48h; Reflux;

DOI:10.1080/00397911.2019.1663539

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) + 5-Methyl-2-hexanone (110-12-3) → 1-(dimethylamino)-6-methyl-3-heptanone (107245-26-1) + 3-[(dimethylamino)methyl]-5-methylhexan-2-one (91342-74-4)

Guidance literature:

In ethanol; for 18h; Reflux;

DOI:10.1002/jlcr.1881

Reference yield:

eschenmoser's salt (33797-51-2) + C19H35BO → 1-(dimethylamino)-6-methyl-3-heptanone (107245-26-1)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) THF, RT, 3 h, 2.) THF, 20 min;

DOI:10.1021/jo00383a035

upstream raw materials:

methyl 3-(dimethylamino)propionate

(3-methylbutyl)magnesium bromide

eschenmoser's salt

formaldehyd