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2-nitro-5-(piperidin-1-yl)benzoic acid is a chemical compound characterized by the molecular formula C13H14N2O4. It is a benzoic acid derivative featuring a nitro group and a piperidine ring, which endows it with unique chemical properties and potential applications in various fields.

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  • 118159-39-0 Structure
  • Basic information

    1. Product Name: 2-nitro-5-(piperidin-1-yl)benzoic acid
    2. Synonyms: 2-nitro-5-(piperidin-1-yl)benzoic acid
    3. CAS NO:118159-39-0
    4. Molecular Formula: C12H14N2O4
    5. Molecular Weight: 250.25056
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 118159-39-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-nitro-5-(piperidin-1-yl)benzoic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-nitro-5-(piperidin-1-yl)benzoic acid(118159-39-0)
    11. EPA Substance Registry System: 2-nitro-5-(piperidin-1-yl)benzoic acid(118159-39-0)
  • 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: 118159-39-0(Hazardous Substances Data)

118159-39-0 Usage

Uses

Used in Pharmaceutical Synthesis:
2-nitro-5-(piperidin-1-yl)benzoic acid is utilized as a building block in the synthesis of pharmaceuticals for its ability to contribute to the development of new drug molecules. Its structural features allow for the creation of diverse medicinal compounds with potential therapeutic effects.
Used in Organic Chemistry:
In the field of organic chemistry, 2-nitro-5-(piperidin-1-yl)benzoic acid serves as a starting material for the preparation of various organic compounds. Its reactivity and functional groups make it a valuable precursor in the synthesis of a range of chemical products.
Safety Considerations:
Given its potential hazards, 2-nitro-5-(piperidin-1-yl)benzoic acid must be handled with care and stored according to safety guidelines to prevent any adverse effects during its use in research or industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 118159-39-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,8,1,5 and 9 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 118159-39:
(8*1)+(7*1)+(6*8)+(5*1)+(4*5)+(3*9)+(2*3)+(1*9)=130
130 % 10 = 0
So 118159-39-0 is a valid CAS Registry Number.

118159-39-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-nitro-5-piperidin-1-ylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-nitro-5-piperidinobenzoic acid

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:118159-39-0 SDS

118159-39-0Downstream Products

118159-39-0Relevant articles and documents

Dipole-mediated rectification of intramolecular photoinduced charge separation and charge recombination

Bao, Duoduo,Upadhyayula, Srigokul,Larsen, Jillian M.,Xia, Bing,Georgieva, Boriana,Nu?ez, Vicente,Espinoza, Eli M.,Hartman, Joshua D.,Wurch, Michelle,Chang, Andy,Lin, Chung-Kuang,Larkin, Jason,Vasquez, Krystal,Beran, Gregory J. O.,Vullev, Valentine I.

, p. 12966 - 12973 (2014)

Controlling charge transfer at a molecular scale is critical for efficient light harvesting, energy conversion, and nanoelectronics. Dipole-polarization electrets, the electrostatic analogue of magnets, provide a means for "steering" electron transduction via the local electric fields generated by their permanent electric dipoles. Here, we describe the first demonstration of the utility of anthranilamides, moieties with ordered dipoles, for controlling intramolecular charge transfer. Donor- Acceptor dyads, each containing a single anthranilamide moiety, distinctly rectify both the forward photoinduced electron transfer and the subsequent charge recombination. Changes in the observed charge- Transfer kinetics as a function of media polarity were consistent with the anticipated effects of the anthranilamide molecular dipoles on the rectification. The regioselectivity of electron transfer and the molecular dynamics of the dyads further modulated the observed kinetics, particularly for charge recombination. These findings reveal the underlying complexity of dipole-induced effects on electron transfer and demonstrate unexplored paradigms for molecular rectifiers.

De novo design, synthesis and biological evaluation of 1,4-dihydroquinolin- 4-ones and 1,2,3,4-tetrahydroquinazolin-4-ones as potent kinesin spindle protein (KSP) inhibitors

Jiang, Cheng,Yang, Lei,Wu, Wu-Tong,Guo, Qing-Long,You, Qi-Dong

experimental part, p. 5612 - 5627 (2011/10/13)

Kinesin spindle protein (KSP) inhibitors are a promising class of anticancer agents that cause mitotic arrest in cells from a failure to form functional bipolar mitotic spindles. Here, we report the design, synthesis and biological evaluation of a novel series of 1,4-dihydroquinolin-4-ones and 1,2,3,4-tetrahydroquinazolin-4-ones using de novo design method. The synthesized compound was evaluated and proved to have potent inhibitory activities in the KSP ATPase. Compounds 15j and 15p show potent inhibitory activities in cell proliferation assays. Preferred compound 15j markedly induced G2/M phase cell cycle arrest with characteristic monoastral spindles and subsequent cell death in A549 cells. In vivo evaluation of 15j on the growth of transplantable S180 sarcoma in mice suggested its therapeutic potential for further development.

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