BETA-OXO-4-CHLORO-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: BETA-OXO-4-CHLORO-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER
• CAS No.: 106970-98-3
• Molecular Formula: C13H15ClO3
• Molecular Weight: 254.712
• Mol file: 106970-98-3.mol

Synonyms:BETA-OXO-4-CHLORO-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property of BETA-OXO-4-CHLORO-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property:

• PSA: 43.37000
• LogP: 3.25450

Purity/Quality:

≥99% ^*data from raw suppliers

tert-Butyl3-(4-chlorophenyl)-3-oxopropanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BETA-OXO-4-CHLORO-BENZENEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

There total 6 articles about BETA-OXO-4-CHLORO-BENZENEPROPANOIC 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: 100.0%

acetic acid tert-butyl ester (540-88-5) + 4-chloro-N-methoxy-N-methylbenzamide (122334-37-6) → 3-(4-chlorophenyl)-3-oxopropionic acid tert-butyl ester (106970-98-3)

Guidance literature:

acetic acid tert-butyl ester; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.25h;

4-chloro-N-methoxy-N-methylbenzamide; In tetrahydrofuran; at -78 - 20 ℃; for 4h; Further stages.;

DOI:10.1080/00397910701481237

Reference yield: 62.0%

N-tert-butyloxycarbonyl-pyrrole (5176-27-2) + para-chloroacetophenone (99-91-2) → 3-(4-chlorophenyl)-3-oxopropionic acid tert-butyl ester (106970-98-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 6h; Glovebox; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.0c01745

Reference yield: 18.0%

cycl-isopropylidene malonate (2033-24-1) + tert-butyl alcohol (75-65-0) + para-chlorobenzoic acid (74-11-3) → 3-(4-chlorophenyl)-3-oxopropionic acid tert-butyl ester (106970-98-3)

Guidance literature:

cycl-isopropylidene malonate; para-chlorobenzoic acid; With dmap; In dichloromethane; at 20 ℃; for 0.25h;

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃;

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

DOI:10.1002/ejoc.201601119

upstream raw materials:

acetic acid tert-butyl ester

4-chloro-N-methoxy-N-methylbenzamide

4-chloro-benzoyl chloride

bromochlorobenzene

Downstream raw materials:

(E)-3-(4-Chloro-phenyl)-4-cyano-but-3-enoic acid tert-butyl ester

2-acetyl-3-(4-chlorobenzoyl)succinic acid 4-tert-butyl ester 1-ethyl ester

2-(4-chlorophenyl)-1,3,4-oxadiazole

N-benzyl-p-chlorobenzamide

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