tert-Butyl 3-oxocyclobutanecarboxylate

Base Information

• Chemical Name: tert-Butyl 3-oxocyclobutanecarboxylate
• CAS No.: 145549-76-4
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00437438
• Nikkaji Number: J895.991I
• Wikidata: Q72503892
• Mol file: 145549-76-4.mol

Synonyms:tert-Butyl 3-oxocyclobutanecarboxylate;145549-76-4;Tert-butyl 3-oxocyclobutane-1-carboxylate;3-OXO-CYCLOBUTANECARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl3-oxocyclobutanecarboxylate;CYCLOBUTANECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER;MFCD12827541;1-Boc-cyclobutan-3-one;3-Oxocyclobutanecarboxylic acid tert-butyl ester;SCHEMBL321152;DTXSID00437438;JINYZTGTQXDUQR-UHFFFAOYSA-N;t-butyl 3-oxocyclobutanecarboxylate;AKOS016002876;CS-W016029;PB25480;Tert-butyl 3-oxocyclobutane carboxylate;DS-18564;SY039190;AM20130050;FT-0725936;EN300-805069;TERT-BUTYL-3-OXOCYCLOBUTANE CARBOXYLATE;A856100;3-Oxocyclobutane-1-carboxylic acid tert-butyl ester;J-524565

Chemical Property of tert-Butyl 3-oxocyclobutanecarboxylate

Chemical Property:

• Vapor Pressure: 0.066mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 230.414°C at 760 mmHg
• Flash Point: 93.36°C
• PSA: 43.37000
• Density: 1.101g/cm³
• LogP: 1.30720
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butyl 3-oxocyclobutanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1CC(=O)C1

Technology Process of tert-Butyl 3-oxocyclobutanecarboxylate

There total 6 articles about tert-Butyl 3-oxocyclobutanecarboxylate 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: 89.0%

3-oxocyclobutanecarboxylic acid (23761-23-1) + tert-butyl alcohol (75-65-0) → tert-butyl 3-oxocyclobutane-1-carboxylate (145549-76-4)

Guidance literature:

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

Reference yield: 83.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-oxocyclobutanecarboxylic acid (23761-23-1) + tert-butyl alcohol (75-65-0) → tert-butyl 3-oxocyclobutane-1-carboxylate (145549-76-4)

Guidance literature:

With dmap; In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield: 70.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-oxocyclobutanecarboxylic acid (23761-23-1) → tert-butyl 3-oxocyclobutane-1-carboxylate (145549-76-4)

Guidance literature:

With dmap; In tert-butyl alcohol; at 0 - 20 ℃; Inert atmosphere;

upstream raw materials:

3-oxocyclobutanecarboxylic acid

tert-butyl alcohol

2,2-dimethylpropane

tert-Butyl acrylate

Refernces

• 1、 -. "BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY". Paragraph 0592-0593; 0744-0746. . Retrieved 2021/05/15.
• 2、 -. "BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY". Paragraph 0602; 0603; 0604. . Retrieved 2020/05/21.