1-Hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-one

Base Information

• Chemical Name: 1-Hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-one
• CAS No.: 123920-07-0
• Molecular Formula: C₁₃H₂₄O₆
• Molecular Weight: 276.33
• DSSTox Substance ID: DTXSID00591241
• Mol file: 123920-07-0.mol

Synonyms:123920-07-0;1-hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-one;3-Pentanone, 1-hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-, (R*,S*)-;LTFVCFUDXMOAPI-UHFFFAOYSA-N;SCHEMBL10513670;DTXSID00591241

Chemical Property of 1-Hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-one

Chemical Property:

• PSA: 74.22000
• LogP: 0.85710
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 276.15728848
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(O1)(C)C(CC(=O)C(C)(OC)OC)O)C

Technology Process of 1-Hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-one

There total 1 articles about 1-Hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-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:

(4RS)-4-hydroxymethyl-2,2,4-trimethyl-1,3-dioxolane (86884-87-9,32379-10-5) + oxalyl dichloride (79-37-8) + 3,3-dimethoxy-butan-2-one (21983-72-2) + sodium hydrogencarbonate (144-55-8) + dimethyl sulfoxide (67-68-5,8070-53-9) → 5-Hydroxy-2,2-dimethoxy-5-(2,2,4-trimethyl-1,3dioxolan-4-yl)pentan-3-one (123920-07-0)

Guidance literature:

With acetic acid; triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran; hexane;

Reference yield:

2,6-di-tert-butyl-4-methylpyridine (38222-83-2) + 5-Hydroxy-2,2-dimethoxy-5-(2,2,4-trimethyl-1,3dioxolan-4-yl)pentan-3-one (123920-07-0) + methyl trifluoromethanesulfonate (333-27-7) → 2,2,5-trimethoxy-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-ol (123942-39-2,123921-08-4)

Guidance literature:

With sodium borohydrid; In tetrachloromethane; ethanol;

upstream raw materials:

(4RS)-4-hydroxymethyl-2,2,4-trimethyl-1,3-dioxolane

oxalyl dichloride

3,3-dimethoxy-butan-2-one

sodium hydrogencarbonate

Downstream raw materials:

2,2,5-trimethoxy-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)pentan-3-ol