Oxocan-2-ol

Base Information

• Chemical Name: Oxocan-2-ol
• CAS No.: 72488-05-2
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• DSSTox Substance ID: DTXSID50543593
• Nikkaji Number: J1.407.797I
• Mol file: 72488-05-2.mol

Synonyms:Oxocan-2-ol;oxocol;72488-05-2;SCHEMBL3420515;DTXSID50543593

Chemical Property of Oxocan-2-ol

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 73.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCOC(CC1)O

Technology Process of Oxocan-2-ol

There total 2 articles about Oxocan-2-ol 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: 37.0%

oxocan-2-one (539-87-7) → 7-hydroxyheptan-1-al (72488-05-2) + 7-hydroxyheptanal (22054-13-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -70 ℃; for 3h; Overall yield = 0.6 g; Inert atmosphere;

DOI:10.1134/S1070428020080047

Reference yield:

oxocan-2-one (539-87-7) → 7-hydroxyheptan-1-al (72488-05-2)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 1h;

Reference yield: 42.0%

7-hydroxyheptan-1-al (72488-05-2) + N,N-diphenylhydrazine hydrochloride (530-47-2,29666-92-0) → 7-(N',N'-diphenylhydrazono)heptan-1-ol

Guidance literature:

With TEA; In methanol;

DOI:10.1021/jo000538n

upstream raw materials:

oxocan-2-one

Downstream raw materials:

trans-9-methyl-N-vanillyl-7-decenamide