Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate

Base Information

• Chemical Name: Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate
• CAS No.: 893724-10-2
• Molecular Formula: C₁₂H₁₈O₅
• Molecular Weight: 242.272
• Hs Code.: 2918300090
• European Community (EC) Number: 858-223-1
• Mol file: 893724-10-2.mol

Synonyms:893724-10-2;DIISOPROPYL 3-OXOCYCLOBUTANE-1,1-DICARBOXYLATE;1,1-bis(propan-2-yl) 3-oxocyclobutane-1,1-dicarboxylate;3-OXO-CYCLOBUTANE-1,1-DICARBOXYLIC ACID DIISOPROPYL ESTER;dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate;MFCD06742778;SCHEMBL871831;WOHVVNMAISCDLA-UHFFFAOYSA-N;AKOS000320039;DS-7997;PB21970;SY042155;CS-0045548;EN300-55101;A900878;di propan-2-yl 3-oxocyclobutane-1,1-dicarboxylate;DIISOPROPYL3-OXOCYCLOBUTANE-1,1-DICARBOXYLATE;1,1-DIISOPROPYL 3-OXOCYCLOBUTANE-1,1-DICARBOXYLATE

Chemical Property of Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate

Chemical Property:

• Boiling Point: 293.2±40.0 °C(Predicted)
• PSA: 69.67000
• Density: 1.165±0.06 g/cm3(Predicted)
• LogP: 1.23890
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 242.11542367
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

3-Oxo-cyclobutane-1,1-dicarboxylicAcidDiisopropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1(CC(=O)C1)C(=O)OC(C)C

Technology Process of Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate

There total 4 articles about Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate 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%

3,3-dimethoxycyclobutane-1,1-dicarboxylic acid diisopropyl ester (115118-68-8) → dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate (893724-10-2)

Guidance literature:

With hydrogenchloride; In water; acetone; at 20 ℃; for 24h;

DOI:10.1055/s-0029-1217355

Reference yield:

dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate (869109-31-9) → dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate (893724-10-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 2h; Cooling with ice;

Reference yield:

diisopropyl malonate (13195-64-7) → dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate (893724-10-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide

2: hydrogenchloride / water

With hydrogenchloride; sodium hydride; In water; N,N-dimethyl-formamide;

DOI:10.1055/s-0033-1340322

upstream raw materials:

3,3-dimethoxycyclobutane-1,1-dicarboxylic acid diisopropyl ester

diisopropyl malonate

dipropan-2-yl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate

Downstream raw materials:

C₁₂H₁₉NO₃

methyl 2-oxo-3-azabicyclo[3.1.1]heptane-1-carboxylate

tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate

3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid

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