BETA-OXO-BENZENEHEXANOIC ACID 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: BETA-OXO-BENZENEHEXANOIC ACID 1,1-DIMETHYLETHYL ESTER
• CAS No.: 235087-24-8
• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.349
• Mol file: 235087-24-8.mol

Synonyms:tert-butyl 3-oxo-6-phenylhexanoate

Chemical Property of BETA-OXO-BENZENEHEXANOIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of BETA-OXO-BENZENEHEXANOIC ACID 1,1-DIMETHYLETHYL ESTER

There total 4 articles about BETA-OXO-BENZENEHEXANOIC ACID 1,1-DIMETHYLETHYL 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: 82.0%

cycl-isopropylidene malonate (2033-24-1) + phenylbutyric acid chloride (18496-54-3) + tert-butyl alcohol (75-65-0) → tert-butyl 3-oxo-6-phenylhexanoate (235087-24-8)

Guidance literature:

cycl-isopropylidene malonate; phenylbutyric acid chloride; With pyridine; In dichloromethane; at 0 - 20 ℃; for 2h;

tert-butyl alcohol; In toluene; for 3h; Heating;

DOI:10.1039/b401435a

Reference yield: 82.0%

5-(1-hydroxy-4-phenyl-butylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione (1055175-55-7) + tert-butyl alcohol (75-65-0) → tert-butyl 3-oxo-6-phenylhexanoate (235087-24-8)

Guidance literature:

In toluene; for 4h; Heating;

DOI:10.1039/a901921i

Reference yield: 77.0%

acetic acid tert-butyl ester (540-88-5) + N,4-diphenyl-N-tosylbutanamide → tert-butyl 3-oxo-6-phenylhexanoate (235087-24-8)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 25 ℃; for 2h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.joc.0c02868

upstream raw materials:

5-(1-hydroxy-4-phenyl-butylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

tert-butyl alcohol

cycl-isopropylidene malonate

phenylbutyric acid chloride

Downstream raw materials:

tert-butyl 3-oxo-6-phenyl-2-(3-phenylpropylidene)hexanoate

1,8‐diphenyloct‐4‐yne

tert-butyl 3-oxo-6-phenyl-2-(3-phenylpropyl)hexanoate

5-tert-butoxycarbonyl-1,8-diphenyloct-4-en-4-yl trifluoromethanesulfonate