2-Methylbutan-2-yl 3-oxobutanoate

Base Information

• Chemical Name: 2-Methylbutan-2-yl 3-oxobutanoate
• CAS No.: 13562-83-9
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID10559099
• Nikkaji Number: J393.203F
• Wikidata: Q82441660
• Mol file: 13562-83-9.mol

Synonyms:2-Methylbutan-2-yl 3-oxobutanoate;13562-83-9;SCHEMBL2059152;DTXSID10559099

Chemical Property of 2-Methylbutan-2-yl 3-oxobutanoate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)OC(=O)CC(=O)C

Technology Process of 2-Methylbutan-2-yl 3-oxobutanoate

There total 1 articles about 2-Methylbutan-2-yl 3-oxobutanoate 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: 90.0%

tert-Amyl alcohol (75-85-4) + ethyl acetoacetate (141-97-9) → ethanol (64-17-5) + tert-pentyl acetylacetate (13562-83-9)

Guidance literature:

With 4 A molecular sieve; In toluene; at 102 ℃; for 9h; Kinetics;

DOI:10.1016/j.tetlet.2008.01.018

Reference yield:

tert-pentyl acetylacetate (13562-83-9) + butan-1-ol (71-36-3) → butyl acetoacetate (591-60-6)

Guidance literature:

at 91.9 ℃; Rate constant; Mechanism;

DOI:10.1016/S0040-4039(00)88816-4

upstream raw materials:

tert-Amyl alcohol

ethyl acetoacetate

Downstream raw materials:

butyl acetoacetate