3-Oxo-cyclobutanecarboxylic acid isopropyl ester

Base Information

• Chemical Name: 3-Oxo-cyclobutanecarboxylic acid isopropyl ester
• CAS No.: 130111-95-4
• Molecular Formula: C8H12O3
• Molecular Weight: 156.18
• Mol file: 130111-95-4.mol

Synonyms:CYCLOBUTANECARBOXYLIC ACID, 3-OXO-, 1-METHYLETHYL ESTER;

Chemical Property of 3-Oxo-cyclobutanecarboxylic acid isopropyl ester

Chemical Property:

• Boiling Point: 218.2±33.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.127±0.06 g/cm3(Predicted)
• LogP: 0.91710

Purity/Quality:

99.9% ^*data from raw suppliers

Isopropyl3-oxocyclobutanecarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Oxo-cyclobutanecarboxylic acid isopropyl ester

There total 1 articles about 3-Oxo-cyclobutanecarboxylic acid isopropyl 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: 90.5%

3-oxocyclobutanecarboxylic acid (23761-23-1) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl 3-oxocyclobutane-1-carboxylate (130111-95-4)

Guidance literature:

With toluene-4-sulfonic acid; at 80 ℃; for 19h;

DOI:10.1021/acs.oprd.0c00366

Reference yield: 73.0%

succinic acid (110-15-6) + isopropyl 3-oxocyclobutane-1-carboxylate (130111-95-4) + methylamine hydrochloride (593-51-1) → propan-2-yl (1S,3S)-3-(methylamino)cyclobutane-1-carboxylate butane-1,4-dioic acid

Guidance literature:

isopropyl 3-oxocyclobutane-1-carboxylate; methylamine hydrochloride; With glucose dehydrogenase; dipotassium hydrogenphosphate; NADPH; 2,3,4,5,6-pentahydroxy-hexanal; SpRedAm-R₃-V₆ from streptomyces purpureus; In water; at 25 ℃; for 48h; pH=7; Large scale; Enzymatic reaction;

succinic acid; In tert-butyl methyl ether; at 20 ℃; for 1h; Reagent/catalyst; Kinetics; Large scale;

DOI:10.1038/s41929-021-00671-5

Reference yield:

isopropyl 3-oxocyclobutane-1-carboxylate (130111-95-4) → propan-2-yl (1S,3S)-3-(methylamino)cyclobutane-1-carboxylate butane-1,4-dioic acid

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; D-glucose / water; dimethyl sulfoxide; aq. phosphate buffer / pH 8.8 / Enzymatic reaction

2: 2-methyltetrahydrofuran / 20 - 60 °C

With hydrogenchloride; D-glucose; In 2-methyltetrahydrofuran; aq. phosphate buffer; water; dimethyl sulfoxide;

upstream raw materials:

3-oxocyclobutanecarboxylic acid

isopropyl alcohol