1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER CAS 28246-87-9

Introduction：Basic information about 1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER CAS 28246-87-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER Basic information

• Product Name: 1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER
• Synonyms: 1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER;ethyl 1-cyanocyclobutanecarboxylate;Ethyl 1-cyanocyclobutane-1-carboxylate;(Z)-3-hydroxy-1-[5-(thiophen-2-ylmethyl)-2-furanyl]-3-(1H-1,2,4-triazol-5-yl)-2-propen-1-one;Cyclobutanecarboxylic acid, 1-cyano-, ethyl ester;1-Cyano-Cyclobutanecarboxylic Acid Ethyl Este;*Guaiacol Impurity 1 (Guaiacol EP Impurity A)(Pyrocatechol)
• CAS: 28246-87-9
• MF: C8H11NO2
• MW: 153.18
• Mol File: 28246-87-9.mol

1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER Chemical Properties

• Boiling point: 215.5-216 °C(Press: 762 Torr)
• density: 1.09±0.1 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• Appearance: Colorless to light yellow Liquid
• InChI: InChI=1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3
• InChIKey: VPAQDMAYKQBDLT-UHFFFAOYSA-N
• SMILES: C1(C#N)(C(OCC)=O)CCC1

Safety Information

• HS Code: 2926907090

1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER Usage And Synthesis

Uses

1-CYANOCYCLOBUTANECARBOXYLIC ACID ETHYL ESTER can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical and pharmaceutical production process.

Synthesis

4-(9>-cyclopentyl-5'-methyl-6>-oxo-5>,6>,8>,9>- tetrahydrospiro[cyclobutane-l,7'-pyrimido[4,5-b][l,4]diazepine]-2'-ylamino)-3- methoxybenzoic acid; [0521] Ethyl 1-cyanocyclobutanecarboxylate; To a solution of sodium ethoxide (21wt% in EtOH, 5.79 rnL, 15.5 mmol) in EtOH (25 mL), was added ethyl cyanoacetate(1.12 mL, 10.5 mmol), followed shortly thereafter by 1,1-dibromopropane (1.12 mL, 10 mmol). The reaction mixture was refluxed for 3 hrs. It was then concentrated, and diluted to ethyl acetate. The organic layer was washed with NaHCCh, brine, water, dried over Na2SO4 and concentrated in vacuo to obtain ethyl 1-cyanocyclobutanecarboxylate (1.17 g, 74% yield) as a red liquid. It was used directly for next step reaction.