3-Methyl-2-nonanone

Base Information

• Chemical Name: 3-Methyl-2-nonanone
• CAS No.: 816-78-4
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• DSSTox Substance ID: DTXSID40505145
• Nikkaji Number: J1.556.652C
• Mol file: 816-78-4.mol

Synonyms:3-METHYL-2-NONANONE;816-78-4;3-METHYLNONAN-2-ONE;2-Nonanone, 3-methyl-;3-Methyl-nonan-2-one;SCHEMBL574092;DTXSID40505145;BMLJPODSPMQJKF-UHFFFAOYSA-N;MFCD00048903

Chemical Property of 3-Methyl-2-nonanone

Chemical Property:

• PSA: 17.07000
• LogP: 3.18190
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

98%Min ^*data from raw suppliers

3-Methyl-nonan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)C(=O)C

Technology Process of 3-Methyl-2-nonanone

There total 19 articles about 3-Methyl-2-nonanone 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: 100.0%

(E)-3-methylnon-3-en-2-one (18402-87-4) → 3-methyl-nonan-2-one (816-78-4)

Guidance literature:

With oxygen; In water; at 27 ℃; for 24h; cyclohexenone-induced resting mycelium of Beauveria sulfurescens;

DOI:10.1021/jo00231a013

Reference yield: 74.0%

3-Hexyl-3-buten-2-one (68318-17-2) → 3-methyl-nonan-2-one (816-78-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; Ambient temperature;

DOI:10.1246/bcsj.64.3473

Reference yield: 40.0%

octa-1,2-diene (1072-19-1) + carbon monoxide (201230-82-2) + methyl iodide (74-88-4) → 3-methyl-nonan-2-one (816-78-4) + (Z)-3-methylnon-3-en-2-one (133337-82-3)

Guidance literature:

With sodium hydroxide; dimanganese decacarbonyl; cetyltrimethylammonim bromide; In dichloromethane; at 40 ℃; for 24h; under 760 Torr; Product distribution; other allenes;

DOI:10.1039/c39910000008

upstream raw materials:

3-methyl-3-nonen-2-one

methyl magnesium iodide

2-octyl cyanide

2-methoxy-3-methyl-non-2-ene

Refernces

• 1、 Sakai, Takashi,Matsumoto, Syuji,Hidaka, Syukou,Imajo, Norihisa,Tsuboi, Sadao,Utaka, Masanori. "Asymmetric Reduction of Carbon-Carbon Double Bonds of Conjugated Enones with Fermenting Bakers' yeast". . p. 3473 - 3475. Retrieved 2007/10/02.
• 2、 Fauve, Annie,Renard, Michel F.,Veschambre, Henri. "Inducibility of an Enone Reductase System in the Fungus Beauveria sulfurescens: Application in Enantioselective Organic Synthesis". . p. 4893 - 4897. Retrieved 2007/10/02.