Acetoacetic acid 1-methylbutyl ester

Base Information

• Chemical Name: Acetoacetic acid 1-methylbutyl ester
• CAS No.: 6830-12-2
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Mol file: 6830-12-2.mol

Synonyms:1-Methylbutyl 3-oxobutanoate;Butanoic acid,3-oxo-,1-methylbutyl ester;Acetessigsaeure-sec.-pentylester;1-Methylbutyl acetoacetate;

Chemical Property of Acetoacetic acid 1-methylbutyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.69730

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Acetoacetic acid 1-methylbutyl ester

There total 4 articles about Acetoacetic acid 1-methylbutyl ester 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: 62.0%

(+/-)-2-pentanol (6032-29-7,13403-73-1) → (S)-2-pentanol (26184-62-3) + Acetessigsaeure-(1-methyl-butylester) (6830-12-2)

Guidance literature:

DOI:10.1016/00404-0399(50)1396-Y

Reference yield:

(+/-)-2-pentanol (6032-29-7,13403-73-1) + acetoacetic acid methyl ester (105-45-3) → Acetessigsaeure-(1-methyl-butylester) (6830-12-2)

Guidance literature:

With zirconium(IV) oxide; molybdenum; In toluene; at 109.85 ℃; for 6h;

DOI:10.1080/00397919908086095

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + (+/-)-2-pentanol (6032-29-7,13403-73-1) → Acetessigsaeure-(1-methyl-butylester) (6830-12-2)

Guidance literature:

With triethylamine;

upstream raw materials:

4-methyleneoxetan-2-one

(+/-)-2-pentanol

ethyl acetoacetate

acetoacetic acid methyl ester

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