Methyl 4,4-dimethoxy-3-oxopentanoate

Base Information

• Chemical Name: Methyl 4,4-dimethoxy-3-oxopentanoate
• CAS No.: 62759-83-5
• Molecular Formula: C8H14O5
• Molecular Weight: 190.1938
• Hs Code.: 2918990090
• European Community (EC) Number: 857-775-0
• DSSTox Substance ID: DTXSID70408094
• Wikidata: Q82213463
• Mol file: 62759-83-5.mol

Synonyms:Methyl 4,4-dimethoxy-3-oxopentanoate;62759-83-5;Methyl 4,4-dimethoxy-3-oxovalerate;Methyl4,4-dimethoxy-3-oxopentanoate;Methy l4,4-dimethoxy-3-oxopentanoate;Pentanoic acid, 4,4-dimethoxy-3-oxo-, methyl ester;SCHEMBL1552599;DTXSID70408094;ZQFJOBUKEHFXKY-UHFFFAOYSA-N;Methy 4,4-dimethoxy-3-oxopentanoate;MFCD00075269;AKOS015919513;BS-42431;Methyl 4,4-dimethoxy-3-oxovalerate,97%;Methyl 4,4-dimethoxy-3-oxovalerate, 97%;CS-0237898;FT-0660495;A23160;EN300-187941;Z1255427416

Chemical Property of Methyl 4,4-dimethoxy-3-oxopentanoate

Chemical Property:

• Vapor Pressure: 0.00985mmHg at 25°C
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 105 °C
• PSA: 61.83000
• Density: 1.093 g/cm³
• LogP: 0.12760
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 190.08412354
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 4,4-dimethoxy-3-oxovalerate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)CC(=O)OC)(OC)OC
• Uses: Methyl 4,4-dimethoxy-3-oxovalerate may be used in chemical synthesis.

Technology Process of Methyl 4,4-dimethoxy-3-oxopentanoate

There total 1 articles about Methyl 4,4-dimethoxy-3-oxopentanoate 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: 63.0%

3,3-dimethoxy-butan-2-one (21983-72-2) + carbonic acid dimethyl ester (616-38-6) → methyl 4,4-dimethoxy-3-oxopentanoate (62759-83-5)

Guidance literature:

With sodium hydride; In benzene; for 5h; Heating;

DOI:10.1021/ja00402a034

Reference yield: 85.0%

methyl 4,4-dimethoxy-3-oxopentanoate (62759-83-5) + methyl vinyl ketone (78-94-4,25038-87-3) → (1R,2S)-2-(1,1-Dimethoxy-ethyl)-2-hydroxy-4-oxo-cyclohexanecarboxylic acid methyl ester (83220-32-0,83232-00-2)

Guidance literature:

With sodium hydroxide; In methanol; at 0 ℃;

DOI:10.1016/S0040-4039(01)91309-7

Reference yield: 79.0%

cyclohexenone (930-68-7) + methyl 4,4-dimethoxy-3-oxopentanoate (62759-83-5) → 4,4-Dimethoxy-3-oxo-2-(3-oxo-cyclohexyl)-pentanoic acid methyl ester (344317-73-3)

Guidance literature:

With sodium methylate; In methanol; for 24h; Ambient temperature;

DOI:10.1021/jo00145a042

upstream raw materials:

3,3-dimethoxy-butan-2-one

carbonic acid dimethyl ester

Downstream raw materials:

2-(2,2-Dimethoxy-propionyl)-4-methyl-5-oxo-hexanoic acid methyl ester

(1R,2S,5S)-2-(1,1-Dimethoxy-ethyl)-2-hydroxy-5-methyl-4-oxo-cyclohexanecarboxylic acid methyl ester

4,4-Dimethoxy-3-oxo-2-(3-oxo-cyclohexyl)-pentanoic acid methyl ester

2-(2,2-Dimethoxy-propionyl)-5-oxo-hexanoic acid methyl ester

Refernces

• 1、 Danishefsky, Samuel,Zamboni, Robert,Kahn, Michael,Etheredge, Sarah Jane. "Stereospecific Total Synthesis of dl-Coriolin and dl-Coriolin B". . p. 3460 - 3467. Retrieved 2007/10/02.