ChemicalBook--->CAS DataBase List--->637031-93-7

637031-93-7

637031-93-7 Structure

637031-93-7 Structure
IdentificationBack Directory
[Name]

3,3-DIFLUOROCYCLOBUTANAMINE HYDROCHLORIDE
[CAS]

637031-93-7
[Synonyms]

3,3-Difluorocyclobutanami...
3,3-difluorocyclobutanaMine hcl
(3,3-difluorocyclobutyl)azanium
3,3-Difluoro-cyclobutylamine HCl salt
3,3-DIFLUOROCYCLOBUTAMINE HYDROCHLORIDE
3,3-Diflurocyclobutanamine hydrochloride
3,3-DIFLUOROCYCLOBUTANAMINE HYDROCHLORIDE
(3,3-Difluorocyclobutyl)aMine Hydrochloride
3,3-difluorocyclobutan-1-aMine hydrochloride
3,3-Difluorocyclobutaneamine (hydrochloride)
Cyclobutanamine, 3,3-difluoro-, hydrochloride
3,3-Difluorocyclobutanamine hydrochloride, >=95%
CyclobutanaMine, 3,3-difluoro-, hydrochloride (1:1)
3,3-difluorocyclobutanamine hydrochloride (Ivosidenib Intermediate)
[EINECS(EC#)]

810-267-2
[Molecular Formula]

C4H7F2N.HCl
[MDL Number]

MFCD10001382
[MOL File]

637031-93-7.mol
[Molecular Weight]

143.56
Chemical PropertiesBack Directory
[Melting point ]

296 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C4H7F2N.ClH/c5-4(6)1-3(7)2-4;/h3H,1-2,7H2;1H
[InChIKey]

WLXXTHPAORBNIG-UHFFFAOYSA-N
[SMILES]

FC1(CC(N)C1)F.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2922390090
Hazard InformationBack Directory
[Uses]

3,3-Difluorocyclobutanamine hydrochloride is used in the preparation of piperazinyl antiviral agents as well as kinase inhibitors.
[Synthesis]

benzyl 3,3-difluorocyclobutylcarbaMate

939399-53-8

3,3-DIFLUOROCYCLOBUTANAMINE HYDROCHLORIDE

637031-93-7

Step C: Synthesis of 3,3-difluorocyclobutylamine hydrochloride. A mixture of benzyl (3,3-difluorocyclobutyl)carbamate (1.47 g, 6.1 mmol) and 10% Pd/C (1 g) in methanol (20 mL) was subjected to a hydrogen atmosphere (1 atm) and stirred overnight at room temperature. After completion of the reaction, the mixture was filtered through a diatomaceous earth pad and washed with methanol. Concentrated hydrochloric acid (2 mL) was added to the filtrate, followed by evaporation of the solvent under vacuum to afford the target product 3,3-difluorocyclobutanamine hydrochloride (0.8 g, 85% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 8.60 (m, 3H), 3.64 (m, 1H), 2.89 (m, 4H).

[References]

[1] Patent: WO2012/9678, 2012, A1. Location in patent: Page/Page column 210
[2] Patent: US2013/303524, 2013, A1. Location in patent: Paragraph 0413-0414
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-DIFLUOROCYCLOBUTANAMINE HYDROCHLORIDE(637031-93-7)1HNMR
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