ChemicalBook--->CAS DataBase List--->100058-61-5

100058-61-5

100058-61-5 Structure

100058-61-5 Structure
IdentificationBack Directory
[Name]

3-(Benzyloxy)cyclobutanol
[CAS]

100058-61-5
[Synonyms]

3-(Benzyloxy)cyclobutanol
3-(benzyloxy)cyclobutan-1-ol
3-(Benzyloxy)cyclobutanol 97%
Cyclobutanol, 3-(phenylmethoxy)-
3-(phenylmethoxy)cyclobutan-1-ol
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD21756137
[MOL File]

100058-61-5.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Boiling point ]

145 °C(Press: 4 Torr)
[density ]

1.0773 g/cm3(Temp: 25 °C)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

14.78±0.40(Predicted)
[color ]

Colourless
[InChI]

InChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
[InChIKey]

ZGSDRBWWICYJBU-UHFFFAOYSA-N
[SMILES]

C1(O)CC(OCC2=CC=CC=C2)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2906190090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Benzyloxy)cyclobutanol(100058-61-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-(BENZYLOXY)CYCLOBUTANONE

30830-27-4

3-(Benzyloxy)cyclobutanol

100058-61-5

Step 1. 3-(Benzyloxy)cyclobutanone (2.00 g, 11.4 mmol), tetrahydrofuran (20 mL), and methanol (1 mL) were added to a 100 mL round-bottomed flask, and the reaction system was cooled to 0 °C. The reaction system was then cooled to 0 °C. The reaction mixture was then stirred for 30 minutes at room temperature. Subsequently, sodium borohydride (0.475 g, 12.5 mmol) was added in batches, and after addition, the reaction mixture was stirred at room temperature for 30 minutes. After completion of the reaction, the mixture was poured into water (30 mL) and extracted with ethyl acetate (2 x 30 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated to give 3-(benzyloxy)cyclobutanol (1.83 g, 90%) as a yellow oil.MS (ESI, cationic) m/z 179 [M + H]+.

[References]

[1] Patent: WO2014/43272, 2014, A1. Location in patent: Paragraph 0298; 0304; 0305; 0306
[2] Patent: WO2018/137573, 2018, A1. Location in patent: Page/Page column 98
[3] Patent: US6579875, 2003, B1
[4] Patent: WO2015/74064, 2015, A2. Location in patent: Paragraph 0640
[5] ACS Medicinal Chemistry Letters, 2016, vol. 7, # 7, p. 666 - 670
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