2,2-Dimethyl-1,3-dioxane-5-carbaldehyde

Base Information

• Chemical Name: 2,2-Dimethyl-1,3-dioxane-5-carbaldehyde
• CAS No.: 102573-84-2
• Molecular Formula: C7H12 O3
• Molecular Weight: 144.17
• European Community (EC) Number: 890-699-6
• Nikkaji Number: J789.908D
• Mol file: 102573-84-2.mol

Synonyms:102573-84-2;2,2-dimethyl-1,3-dioxane-5-carbaldehyde;2,2-dimethyl-[1,3]dioxane-5-carbaldehyde;1,3-Dioxane-5-carboxaldehyde, 2,2-dimethyl- (9CI);1,3-Dioxane-5-carboxaldehyde, 2,2-dimethyl-;SCHEMBL75283;ALKYTHSHCFHVTO-UHFFFAOYSA-N;CEA57384;AKOS024048857;SB30243;2,2-dimethyl-1,3-dioxane-5-carboxaldehyde;CS-0342644;EN300-2984358;A857196;Z1255451132

Chemical Property of 2,2-Dimethyl-1,3-dioxane-5-carbaldehyde

Chemical Property:

• Boiling Point: 194.6±25.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.079±0.06 g/cm3(Predicted)
• LogP: 0.58440
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dimethyl-[1,3]dioxane-5-carbaldehyde 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(CO1)C=O)C

Technology Process of 2,2-Dimethyl-1,3-dioxane-5-carbaldehyde

There total 1 articles about 2,2-Dimethyl-1,3-dioxane-5-carbaldehyde 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: 76.0%

2,2-dimethyl-5-hydroxymethyl-1,3-dioxane (4728-12-5) → 2,2-dimethyl-[1,3]dioxane-5-carbaldehyde (102573-84-2)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -60 ℃;

DOI:10.1039/c39920000516

Reference yield: 81.0%

C21H23NO4 (1395877-93-6) + 2,2-dimethyl-[1,3]dioxane-5-carbaldehyde (102573-84-2) → C28H35NO7 (1395877-94-7)

Guidance literature:

C₂₁H₂₃NO₄; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

With triisopropoxytitanium(IV) chloride; In tetrahydrofuran; at -40 ℃; for 3h; Inert atmosphere;

2,2-dimethyl-[1,3]dioxane-5-carbaldehyde; Further stages;

DOI:10.1021/ol301865u

Reference yield: 65.0%

C42H52P(1+)*Br(1-) + 2,2-dimethyl-[1,3]dioxane-5-carbaldehyde (102573-84-2) → C31H48O2

Guidance literature:

C₄₂H₅₂P⁽¹⁺⁾*Br^(1-); With potassium tert-butylate; In tetrahydrofuran; at -30 ℃; for 1h;

2,2-dimethyl-[1,3]dioxane-5-carbaldehyde; In tetrahydrofuran; for 12h;

upstream raw materials:

2,2-dimethyl-5-hydroxymethyl-1,3-dioxane

Downstream raw materials:

2-[(E)-2-(2,2-Dimethyl-[1,3]dioxan-5-yl)-vinyl]-1,3-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid methyl ester

3-[(E)-2-(2,2-Dimethyl-[1,3]dioxan-5-yl)-vinyl]-4-hydroxymethyl-2,4-dimethyl-cyclohex-2-enone

{4-(tert-butyl-dimethyl-silanyloxy)-2-[2-(2,2-dimethyl-[1,3]dioxan-5-yl)-vinyl]-1,3-dimethyl-cyclohexa-2,4-dienyl}-methanol

4-(tert-butyl-dimethyl-silanyloxy)-2-[2-(2,2-dimethyl-[1,3]dioxan-5-yl)-vinyl]-1,3-dimethyl-cyclohexa-2,4-dienecarboxylic acid methyl ester