153117
1-Benzyl-3-piperidone hydrochloride hydrate
95%
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About This Item
Empirical Formula (Hill Notation):
C12H15NO · HCl · xH2O
CAS Number:
Molecular Weight:
225.71 (anhydrous basis)
Beilstein:
4334779
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
95%
SMILES string
Cl[H].[H]O[H].O=C1CCCN(C1)Cc2ccccc2
InChI
1S/C12H15NO.ClH.H2O/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;;/h1-3,5-6H,4,7-10H2;1H;1H2
InChI key
XDAGZUGDGORLMZ-UHFFFAOYSA-N
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Application
1-Benzyl-3-piperidone hydrochloride hydrate was used to prepare 7-Benzyl-3-(phenylthio)-1-oxa-4,7-diazaspiro[4.5]dec-3-en-2-one.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Mary Liang et al.
Tetrahedron letters, 50(49), 6810-6813 (2010-02-18)
Microwave irradiation facilitated the synthesis of 4-arylthio-3-oxazolin-5-ones from ethyl cyanoformate, thiophenol, and cyclic ketones. Subsequent decarboxylation and in situ [3+2] cycloaddition provided novel 2,3,4,5-tetrahydro-1H-pyrrolo[1,2-c][1,3]diazepine scaffolds after a spontaneous retro-Mannich domino reaction.
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