4,4-Dimethoxy-3-methylbutan-2-one

Base Information

• Chemical Name: 4,4-Dimethoxy-3-methylbutan-2-one
• CAS No.: 36075-03-3
• Molecular Formula: C7H14O3
• Molecular Weight: 146.18400
• DSSTox Substance ID: DTXSID70443925
• Mol file: 36075-03-3.mol

Synonyms:4,4-dimethoxy-3-methylbutan-2-one;36075-03-3;SCHEMBL12818554;DTXSID70443925;PPYDDVVHUXDXNZ-UHFFFAOYSA-N;MFCD19103364;AKOS015959694;LS-05096

Chemical Property of 4,4-Dimethoxy-3-methylbutan-2-one

Chemical Property:

• Boiling Point: 68-73 °C(Press: 8 Torr)
• PSA: 35.53000
• Density: 0.945±0.06 g/cm3(Predicted)
• LogP: 0.83040
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

4,4-Dimethoxy-3-methylbutan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(OC)OC)C(=O)C

Technology Process of 4,4-Dimethoxy-3-methylbutan-2-one

There total 4 articles about 4,4-Dimethoxy-3-methylbutan-2-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: 82.0%

methanol (67-56-1) + 4-hydroxy-3-methyl-3-buten-2-one (40572-79-0) → 4,4-dimethoxy-3-methylbutan-2-one (36075-03-3)

Guidance literature:

With hydrogenchloride; for 48h; Ambient temperature;

DOI:10.1021/jo9715736

Reference yield:

2-(trimethylsilyloxy)-(Z)-2-butene (6651-39-4,19980-31-5,19980-29-1) + trimethyl orthoformate (149-73-5) → 4,4-dimethoxy-3-methylbutan-2-one (36075-03-3)

Guidance literature:

With boron trifluoride diethyl etherate; methyllithium; In diethyl ether; at -78 ℃;

DOI:10.1016/S0040-4039(01)02249-3

Reference yield:

methanol (67-56-1) + 2-methyl-3-oxobutanal (22428-91-7) → 4,4-dimethoxy-3-methylbutan-2-one (36075-03-3)

Guidance literature:

With sodium methylate;

DOI:10.1021/jo01107a021

upstream raw materials:

methanol

2-methyl-3-oxobutanal

Methyl formate

butanone

Downstream raw materials:

N-acetyl-sulfanilic acid-(4,5-dimethyl-pyrimidin-2-ylamide)

3,4-dimethyl-1-(4-nitro-phenyl)-1H-pyrazole

methyl 3,4-dimethyl-2-carboxyfuran

3,4-dimethyl-2,5-bis[[5-(benzyloxycarbonyl)-4-ethyl-3-methyl-pyrrol-2-yl]methyl]furan

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