5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone

Basic Information

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CAS Number

120014-30-4

Molecular Formula

C17H23NO3

Molecular Weight

289.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

258-260°C (dec.)

Boiling Point

454.109°C at 760 mmHg

SMILES

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COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC

InChI

InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3

InChIKey

PGBZORAISITZTF-UHFFFAOYSA-N

LogP

2.4485

Topological Polar Surface Area

47.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

367

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-
(acetyloxy)(tributyl)stannane (ACD/Name 4.0)
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2right3)-beta-D-galactopyranoside
Donepezil metabolite M4
Neu5Ac-Gal-beta1->1'Cer
CHEBI:174058
MFCD08460096
CHEMBL554887
alpha-Neu5Ac-(2right3)-beta-D-Gal-(1leftright1')-Cer
SCHEMBL1114944
FT-0648863
J-004242
DONEPEZIL HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY]
NS00116544
5,6-dimethoxy-2-(piperidin-4-yl-methyl)indan-1-one
DONEPEZIL (METABOLITE M4)
5,6-dimethoxy-2-(piperidin-4-ylmethyl)indan-1-one
SB44042
5,6-Dimethoxy-2-((4-piperidyl)methyl)indan-1-one
5,6-dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one
4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine
5,6-dimethoxy-2-(4-piperidinylmethyl)-1-indanone
5,6-Dimethoxy-2-((4-piperidinyl)methyl)-1-indanone
Neu5Ac-alpha2->3Gal-beta1->1'Cer
PD065649
UNII-D84X9FAD1Y
Desbenzyl donepezil
(acetyloxy)tributyl-Stannane
5,6-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one
AKOS015919479
DTXSID80923182

MDL Number

MFCD08460096

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone (CAS: 120014-30-4)?

5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone is a white to off-white crystalline solid with a molecular weight of approximately 288.35 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. This compound is known for its low reactivity under normal conditions but can undergo dehydration reactions under strongly acidic or basic conditions.

How is 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone (CAS: 120014-30-4) typically synthesized?

5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone is typically synthesized by the condensation of 4-piperidinemethanol with 5,6-dimethoxy-1-indanone in the presence of a mild base like triethylamine. The reaction is carried out at room temperature, and the product is isolated by recrystallization from ethanol. The yield is usually around 75-85%.

What industries use 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone (CAS: 120014-30-4)?

5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the development of new materials with specific properties. Additionally, this compound is employed in the production of sensors and as a precursor in semiconductor manufacturing due to its unique chemical structure and reactivity.

What precautions should be taken when handling 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone (CAS: 120014-30-4)?

When handling 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone (CAS: 120014-30-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a fume hood or a well-ventilated area to avoid inhalation of vapors. In case of a spill, use appropriate spill cleanup materials and dispose of waste in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.