3-Methoxy-2,2-dimethylpropionaldehyde

Base Information

• Chemical Name: 3-Methoxy-2,2-dimethylpropionaldehyde
• CAS No.: 26254-86-4
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• European Community (EC) Number: 247-549-4
• DSSTox Substance ID: DTXSID40180890
• Nikkaji Number: J308.412D
• Wikidata: Q83051502
• Mol file: 26254-86-4.mol

Synonyms:3-methoxy-2,2-dimethylpropanal;26254-86-4;3-Methoxy-2,2-dimethylpropionaldehyde;3-methoxy-2,2-dimethyl-propionaldehyde;EINECS 247-549-4;Propanal, 3-methoxy-2,2-dimethyl-;Propanal,3-methoxy-2,2-dimethyl-;methoxypivalaldehyde;SCHEMBL207064;DTXSID40180890;MSUXOWPAVUXNMZ-UHFFFAOYSA-N;AKOS022632869;SB36271;D84794;EN300-179028

Chemical Property of 3-Methoxy-2,2-dimethylpropionaldehyde

Chemical Property:

• Vapor Pressure: 5.05mmHg at 25°C
• Refractive Index: 1.398
• Boiling Point: 144.6 °C at 760 mmHg
• Flash Point: 34.2 °C
• PSA: 26.30000
• Density: 0.884 g/cm³
• LogP: 0.85790
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxy-2,2-dimethylpropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COC)C=O
• Uses: 3-Methoxy-2,2-dimethylpropanal is a useful reagent used in the preparation of chiral cyanohydrin acetates by enzymic reaction with a cyanide containing compound.

Technology Process of 3-Methoxy-2,2-dimethylpropionaldehyde

There total 5 articles about 3-Methoxy-2,2-dimethylpropionaldehyde 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: 80.0%

<(2-methyl-1-propenyl)oxy>tri-n-butylstannane (17198-92-4) + chloromethyl methyl ether (107-30-2) → 3-methoxy-2,2-dimethyl-propionaldehyde (26254-86-4)

Guidance literature:

for 14 h at 100°C;

DOI:10.1016/S0022-328X(00)82070-7

Reference yield: 43.0%

2,2-dimethyl-1,3-propanediol monomethyl ether (57021-67-7) → 3-methoxy-2,2-dimethyl-propionaldehyde (26254-86-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 7h; Ambient temperature;

DOI:10.1016/0957-4166(94)00384-N

Reference yield:

5,5-dimethyl-1,3-dioxane (872-98-0) → 3-methoxy-2,2-dimethyl-propionaldehyde (26254-86-4)

Guidance literature:

at 400 - 440 ℃;

DOI:10.1021/ja00876a018

upstream raw materials:

5,5-dimethyl-1,3-dioxane

chloromethyl methyl ether

isobutyraldehyde

2,2-dimethyl-1,3-propanediol monomethyl ether

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