1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

Basic Information

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CAS Number

120014-07-5

Molecular Formula

C24H27NO3

Molecular Weight

377.5 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

176-178 ºC

Boiling Point

542.774°C at 760 mmHg

Density

1.209

Flash Point

282.06°C

Refractive Index

1.636

SMILES

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COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OC

InChI

InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+

InChIKey

LPMOTUSFDTTWJL-UDWIEESQSA-N

LogP

4.281200000000004

Topological Polar Surface Area

38.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

560

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DS-0813
EN300-7363542
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-
1-benzyl-4-((5,6-dimethoxy-1-oxoindan-2-ylidene)methyl)piperidine
MFCD08693144
CS-0166756
(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
DONEPEZIL HYDROCHLORIDE MONOHYDRATE IMPURITY F [EPIMPURITY]
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2E)-
DZ7
AKOS000277341
120014-07-5
BCP28366
(2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one
CHEMBL168938
(E)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
145546-80-1
CS-W006058
Dehydro Donepezil (Donepezil Impurity)
2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-
DONEPEZIL HYDROCHLORIDE IMPURITY F [EP IMPURITY]
UNII-1D3K90DIY3
AC-26327
1D3K90DIY3
2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5,6-dimethoxy-indan-1-one
(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
(2E)-Dehydrodonepezil (Donepezil Impurity)
Q27252264
1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)-piperidine
1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-
2-[(1-Benzylpiperidin-4-yl)methylene]-2,3-dihydro-5,6-dimethoxyinden-1-one

MDL Number

MFCD08693144

FAQ

What are the physical and chemical properties of 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene] (CAS: 120014-07-5)?

This compound is a crystalline solid with a molecular weight of approximately 334.37 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and dichloromethane. Chemically, it shows reactivity typical of an oxime, including potential nucleophilic substitution reactions.

How is 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene] (CAS: 120014-07-5) typically synthesized?

This compound is often synthesized via the condensation of 2,3-dimethoxyindanone with 1-(phenylmethyl)-4-piperidone in the presence of an appropriate base like sodium hydride or potassium tert-butoxide, yielding a high yield of the desired product with good selectivity.

What industries use 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene] (CAS: 120014-07-5)?

This compound is used in the pharmaceutical industry as an intermediate for the synthesis of complex molecules. It also finds application in the polymer industry for the development of functional materials and in the sensor industry for its specific reactivity.

What precautions should be taken when handling 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene] (CAS: 120014-07-5)?

Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be handled with care, using appropriate absorbents and following standard safety protocols as outlined in the SDS.