3-Methyl-2-undecanone

Base Information

• Chemical Name: 3-Methyl-2-undecanone
• CAS No.: 1534-28-7
• Molecular Formula: C12H24O
• Molecular Weight: 184.322
• DSSTox Substance ID: DTXSID801314763
• Nikkaji Number: J813.893A
• Wikidata: Q105145432
• Mol file: 1534-28-7.mol

Synonyms:3-methyl-2-undecanone;1534-28-7;SCHEMBL2573740;DTXSID801314763

Chemical Property of 3-Methyl-2-undecanone

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-2-undecanone

There total 3 articles about 3-Methyl-2-undecanone 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: 35.0%

2-chloro-3-methyl-2-(toluene-4-sulfinyl)undecan-2-ol (1046464-00-9) → 2-methylundecan-3-one (6315-95-3) + 3-methylundecan-2-one (1534-28-7)

Guidance literature:

With tert-butylmagnesium chloride; isopropylmagnesium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2008.05.079

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + butanone (78-93-3) → 3-dodecanone (1534-27-6) + octane-3,6-dione (2955-65-9) + 3-methylundecan-2-one (1534-28-7) + (E)-Dodec-5-en-3-one (112919-31-0) + (E)-dodec-6-en-3-one (112919-26-3) + (6R*)-5-acetoxy-3-dodecanone (112919-28-5)

Guidance literature:

With potassium acetate; manganese triacetate; In acetic acid; at 80 ℃; for 2.5h; Product distribution;

Reference yield:

1-bromo-octane (111-83-1) + N-cyclohexylbutylidene-2-imine (6125-75-3) → 3-dodecanone (1534-27-6) + 3-methylundecan-2-one (1534-28-7)

Guidance literature:

With aluminum oxide; oxalic acid; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0022-328X(00)80496-9

upstream raw materials:

oct-1-ene

butanone

1-bromo-octane

N-cyclohexylbutylidene-2-imine