2,2-Dimethyl-3-oxopentanal

Base Information

• Chemical Name: 2,2-Dimethyl-3-oxopentanal
• CAS No.: 106921-60-2
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID40452882
• Nikkaji Number: J820.580I
• Wikidata: Q82273759
• Mol file: 106921-60-2.mol

Synonyms:2,2-DIMETHYL-3-OXOPENTANAL;106921-60-2;Pentanal, 2,2-dimethyl-3-oxo-;SCHEMBL2071264;DTXSID40452882;PVYBKZHBCCMBPS-UHFFFAOYSA-N;AKOS016013201;AS-58747;AM20120716;EN300-7105016;A895725

Chemical Property of 2,2-Dimethyl-3-oxopentanal

Chemical Property:

• PSA: 34.14000
• LogP: 1.19060
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dimethyl-3-oxopentanal 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(C)(C)C=O

Technology Process of 2,2-Dimethyl-3-oxopentanal

There total 4 articles about 2,2-Dimethyl-3-oxopentanal 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: 62.0%

4-(2-methyl-1-propenyl)morpholine (2403-55-6) + propionyl chloride (79-03-8) → 2,2-dimethyl-3-oxopentanal (106921-60-2)

Guidance literature:

In diethyl ether;

DOI:10.1081/SCC-100107003

Reference yield:

3,3-dimethyl-4-oxohex-1-ene (78186-80-8) → 2,2-dimethyl-3-oxopentanal (106921-60-2)

Guidance literature:

3,3-dimethyl-4-oxohex-1-ene; With ozone; In methanol; dichloromethane; at -78 ℃;

With dimethylsulfide; In methanol; dichloromethane; at 25 ℃; for 4h;

DOI:10.1039/b508001k

Reference yield:

(+/-)-4,4-dimethylhex-5-en-3-ol (212208-40-7) → 2,2-dimethyl-3-oxopentanal (106921-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 87 percent / Dess-Martin periodinane / CH₂Cl₂ / 2 h / 25 °C

2.1: O₃ / CH₂Cl₂; methanol / -78 °C

2.2: Me₂S / CH₂Cl₂; methanol / 4 h / 25 °C

With Dess-Martin periodane; ozone; In methanol; dichloromethane;

DOI:10.1039/b508001k

upstream raw materials:

4-(2-methyl-1-propenyl)morpholine

propionyl chloride

3,3-dimethyl-4-oxohex-1-ene

(+/-)-4,4-dimethylhex-5-en-3-ol

Downstream raw materials:

(S)-1-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-3-hydroxy-4,4-dimethyl-heptane-1,5-dione

(2S,3S)-2-Allyl-3-hydroxy-4,4-dimethyl-1-((4S,5R)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl)-heptane-1,5-dione

(-)-(5S)-3-ethyl-4,4-dimethyl-5-hydroxycyclohex-2-enone

(-)-(4S)-4-hydroxy-5,5-dimethyl-2,6-octanedione