3-Hexanone, 4-ethyl-4-hydroxy-

Base Information

• Chemical Name: 3-Hexanone, 4-ethyl-4-hydroxy-
• CAS No.: 7029-49-4
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• DSSTox Substance ID: DTXSID60510458
• Wikidata: Q82368763
• Mol file: 7029-49-4.mol

Synonyms:4-Ethyl-4-hydroxyhexan-3-one;7029-49-4;DTXSID60510458

Chemical Property of 3-Hexanone, 4-ethyl-4-hydroxy-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C(CC)(CC)O

Technology Process of 3-Hexanone, 4-ethyl-4-hydroxy-

There total 5 articles about 3-Hexanone, 4-ethyl-4-hydroxy- 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:

diethylmagnesium (557-18-6) → propioin (4984-85-4) + 2-pentanol (584-02-1) + 3-hexanone, 4-ethyl- (6137-12-8) + 4-ethyl-4-hydroxy-hexan-3-one (7029-49-4) + pentan-3-one (96-22-0)

Guidance literature:

With carbon monoxide; In tetrahydrofuran; hexane; at 19.9 ℃; under 750.06 Torr; Product distribution; Rate constant; 1.) change in the THF/C₆H₁₄ molar ratio; 2.) other solvents; 3.) relationship of the rate constant to MgEt₂ concentration, in THF;

DOI:10.1016/0022-328X(88)80545-X

Reference yield:

carbon monoxide (201230-82-2) + diethylmagnesium (557-18-6) → 2-pentanol (584-02-1) + 3-ethylpentan-3-ol (597-49-9) + 3-hexanone, 4-ethyl- (6137-12-8) + 4-ethyl-4-hydroxy-hexan-3-one (7029-49-4) + pentan-3-one (96-22-0)

Guidance literature:

In diethyl ether; for 3h; under 750.06 Torr; Product distribution; Mechanism; Ambient temperature; var. conc. of diethylmagnesium;

DOI:10.1016/0022-328X(84)85050-0

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + carbon monoxide (201230-82-2) + diethylmagnesium (557-18-6) → 2-pentanol (584-02-1) + 3-ethylpentan-3-ol (597-49-9) + 3,4-diethyl-hexane-3,4-diol (6931-71-1) + 4-ethyl-4-hydroxy-hexan-3-one (7029-49-4) + tetrahydrofuranyl-2-ethyl ketone (67234-00-8) + pentan-3-one (96-22-0)

Guidance literature:

With hexacarbonyl molybdenum; In diethyl ether; for 2h; Product distribution; var. catalysts;

DOI:10.1016/S0022-328X(00)96083-2

upstream raw materials:

diethyl ether

ethylmagnesium bromide

ethyl cyanoformate

tetrahydrofuran