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952681-82-2

952681-82-2 Structure

952681-82-2 Structure
IdentificationBack Directory
[Name]

2-(1'-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4'-PIPERIDINE]-4-YL)ACETIC ACID
[CAS]

952681-82-2
[Synonyms]

Reaxys ID: 15583751
spiro[chroman-2,4'-piperidine]-4-yl)
2-(1'-tert-butoxycarbonylspiro[chromane-2,4'-piperidine]-4-yl)acetic acid
2-(1'-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4'-PIPERIDINE]-4-YL)ACETIC ACID
2-[1'-[(2-Methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid
Spiro[2H-1-benzopyran-2,4'-piperidine]-4-acetic acid, 1'-[(1,1-diMethylethoxy)carbonyl]-3,4-dihydro-
[Molecular Formula]

C20H27NO5
[MDL Number]

MFCD12198637
[MOL File]

952681-82-2.mol
[Molecular Weight]

361.43
Chemical PropertiesBack Directory
[Boiling point ]

516.4±50.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.54±0.10(Predicted)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[HS Code ]

2933399990
Hazard InformationBack Directory
[Synthesis]

Spiro[2H-1-benzopyran-2,4'-piperidine]-4-acetic acid, 1'-[(1,1-diMethylethoxy)carbonyl]-3,4-dihydro-, ethyl ester

952681-81-1

2-(1'-(TERT-BUTOXYCARBONYL)SPIRO[CHROMAN-2,4'-PIPERIDINE]-4-YL)ACETIC ACID

952681-82-2

Preparation of 5.7: Tert-butyl 4-(2-ethoxy-2-oxoethyl)spiro[chromane-2,4'-piperidine]-1'-carboxylate (5.6, 2.0 g, 5.1 mmol) was dissolved in a solvent mixture of methanol (30 mL), tetrahydrofuran (30 mL) and water (30 mL). To this solution was added lithium hydroxide monohydrate (1.35 g, 32 mmol). The reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the mixture was concentrated under vacuum to remove the organic solvent. The aqueous phase was washed with ether to remove non-polar impurities. Subsequently, the aqueous layer was acidified with 1N HCl to pH about 4 and extracted with dichloromethane. The organic extracts were combined, dried over anhydrous sodium sulfate, filtered and concentrated in vacuum to afford the target product 2-(1'-(tert-butoxycarbonyl)spiro[chroman-2,4'-piperidin]-4-yl)acetic acid (5.7). Yield: 100%. 1H NMR (400 MHz, DMSO-d6) δ: 7.26 (m, 1H), 7.10 (m, 1H), 6.86 (m, 1H), 6.90 (m, 1H), 3.75 (m, 1H), 3.63 (m, 1H), 3.22 (m, 2H), 2.93 (m, 2H), 2.32 (dd, 1H) , 2.0 (m, 1H), 2.68-2.52 (m, 4H), 1.40 (s + m, 10H).

[References]

[1] Patent: WO2007/118151, 2007, A2. Location in patent: Page/Page column 60; 89; 90
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