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870843-42-8

(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one is a complex organic molecule characterized by a piperidin-2-one core structure with multiple functional groups, including a fluorophenyl, methoxybenzylidene, and imidazol-1-yl group. Its unique structural features suggest potential pharmaceutical applications, particularly in the realm of central nervous system interactions, given the known neurological effects of piperidin-2-one derivatives.

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  • (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one

    Cas No: 870843-42-8

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  • (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one

    Cas No: 870843-42-8

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  • 2-Piperidinone,1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-,(3E)-

    Cas No: 870843-42-8

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  • 870843-42-8 Structure

  • Basic information

    1. Product Name: (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one
    2. Synonyms: (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one;2-Piperidinone, 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-, (3E)-;(S,E)-1-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl]Methylene]-;E 2012;(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperi;(E)-1-[(IS)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1 -y1) benzylidene]piperidin-2-one;(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]pip
    3. CAS NO:870843-42-8
    4. Molecular Formula: C25H26FN3O2
    5. Molecular Weight: 419.49
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 870843-42-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 649.168 °C at 760 mmHg
    3. Flash Point: 346.405 °C
    4. Appearance: /
    5. Density: 1.195 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.6
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 5.67±0.61(Predicted)
    11. CAS DataBase Reference: (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one(870843-42-8)
    13. EPA Substance Registry System: (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one(870843-42-8)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 870843-42-8(Hazardous Substances Data)

870843-42-8 Usage

Uses

Used in Pharmaceutical Industry:
(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one is used as a potential therapeutic agent for its possible neurological activities. (E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one's structural features may allow it to interact with biological targets, suggesting its utility in the development of drugs for central nervous system-related disorders.
Further studies on the pharmacological properties of this compound are necessary to explore its potential therapeutic uses and to understand its mechanisms of action within the body. As research progresses, it may reveal additional applications for this molecule in various areas of medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 870843-42-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,0,8,4 and 3 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 870843-42:
(8*8)+(7*7)+(6*0)+(5*8)+(4*4)+(3*3)+(2*4)+(1*2)=188
188 % 10 = 8
So 870843-42-8 is a valid CAS Registry Number.
InChI:InChI=1/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1

870843-42-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one

1.2 Other means of identification

Product number -
Other names (S,E)-1-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:870843-42-8 SDS

870843-42-8Relevant articles and documents

ONE-POT METHODS FOR PREPARING CINNAMIDE DERIVATIVES

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Page/Page column 8; 9, (2009/01/24)

A compound represented by the following formula (1): wherein R represents a 4-fluorophenyl group and the like; Q represents —CH(CH3)— and the like; and n represents 1 and the like and a pharmaceutically acceptable salt thereof can be prepared in one-pot by reacting a compound represented by the following formula (2): wherein R1 represents a 4-fluorophenyl group and the like; and Q and n have the same meaning as described above, with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base and, if necessary, removing a protecting group.

SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF

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Page/Page column 13, (2008/12/07)

The invention provides crystals of dihydrochloride monohydrate of the compound of the following formula having an Aβ production inhibiting effect which crystals are characterized by exhibiting a diffraction peak at an angle of diffraction (2θ ± 0.2°) of 10.9° in powder X-ray diffractometry. Further, the invention also provides the compound in the form of various salts, crystal forms and amorphous forms which are suitable for the development of drugs.

PROCESS FOR PRODUCTION OF CINNAMAMIDE DERIVATIVE

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Page/Page column 52-53, (2008/12/07)

A compound (8) represented by the formula: (8) wherein R1 represents a 6- to 14-membered aromatic hydrocarbon ring group which may have a substituent; and n represents 0 to 2, can be produced with good efficiency by reacting a compound (3) represented by the formula: (3) wherein R1 and n are as defined above; and Q represents a single bond or -CH(Y)- where Y represents a hydrogen atom or a C1-6 alkyl group] with 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde in the presence of a base.

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