3-Hydroxy-2,2,3-trimethyloctan-4-one

Base Information

Chemical Name:3-Hydroxy-2,2,3-trimethyloctan-4-one
CAS No.:85083-71-2
Molecular Formula:C₁₁H₂₂O₂
Molecular Weight:186.294
Hs Code.:
DSSTox Substance ID:DTXSID60517684
Nikkaji Number:J496.128E
Mol file:85083-71-2.mol

Synonyms:3-HYDROXY-2,2,3-TRIMETHYLOCTAN-4-ONE;85083-71-2;DTXSID60517684

Suppliers and Price of 3-Hydroxy-2,2,3-trimethyloctan-4-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-Hydroxy-2,2,3-trimethyloctan-4-one

Chemical Property:

Boiling Point:214.7±8.0 °C(Predicted)
PKA:13.19±0.29(Predicted)
PSA：37.30000
Density:0.909±0.06 g/cm3(Predicted)
LogP:2.54280
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:186.161979940
Heavy Atom Count:13
Complexity:179

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(=O)C(C)(C(C)(C)C)O

Technology Process of 3-Hydroxy-2,2,3-trimethyloctan-4-one

There total 2 articles about 3-Hydroxy-2,2,3-trimethyloctan-4-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: 90.0%

: 109-72-8,29786-93-4
n-butyllithium

: 75-97-8
3,3-dimethyl-butan-2-one

: 201230-82-2
carbon monoxide

: 29772-40-5
2,2,3-trimethyl-3-heptanol

: 85083-71-2
3-hydroxy-2,2,3-trimethyl-4-octanone

Guidance literature:: With ammonium chloride; In tetrahydrofuran; diethyl ether; hexane; pentane; 1.) -110 +/- 5 deg C, 2.) 2h, -110 deg C, 3.) 1h, 4.) 1h, RT;
DOI:10.1021/jo00155a057

Reference yield: 73.0%

: 109-72-8,29786-93-4
n-butyllithium

: 75-97-8
3,3-dimethyl-butan-2-one

: 201230-82-2
carbon monoxide

: 85083-71-2
3-hydroxy-2,2,3-trimethyl-4-octanone

Guidance literature:: 3,3-dimethyl-butan-2-one; carbon monoxide; In tetrahydrofuran; diethyl ether; pentane; at -110 ℃; for 0.5h; Inert atmosphere;

n-butyllithium; In tetrahydrofuran; diethyl ether; pentane; at -110 ℃; for 2h; Inert atmosphere;
DOI:10.15227/orgsyn.069.0114