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3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE, also known as 3'-dimethylaminoacetophenone, is a chemical compound with the formula C11H12N2O3. It is a yellow to orange solid at room temperature and is commonly used as a reactant in organic synthesis. 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE is often utilized in the pharmaceutical and chemical industries for the production of various substances, including pharmaceutical intermediates, dyes, and pigments. Additionally, it can also be used as a fluorescent probe or staining reagent in biological and biochemical studies. 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE's chemical structure contains a 3-dimethylamino group and a 3-nitrophenyl group, making it versatile for various applications in research and industry.

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  • 115955-48-1 Structure
  • Basic information

    1. Product Name: 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE
    2. Synonyms: 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE;(2E)-3-(Dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
    3. CAS NO:115955-48-1
    4. Molecular Formula: C11H12N2O3
    5. Molecular Weight: 220.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 115955-48-1.mol
  • Chemical Properties

    1. Melting Point: 109-111 °C
    2. Boiling Point: 341.4±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.202±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 6.24±0.70(Predicted)
    10. CAS DataBase Reference: 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE(115955-48-1)
    12. EPA Substance Registry System: 3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE(115955-48-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 115955-48-1(Hazardous Substances Data)

115955-48-1 Usage

Uses

Used in Pharmaceutical Industry:
3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE is used as a pharmaceutical intermediate for the synthesis of various drugs. Its unique chemical structure allows it to be a key component in the development of new medications.
Used in Chemical Industry:
3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE is used as a reactant in the production of dyes and pigments. Its color properties make it suitable for creating a wide range of hues in various applications.
Used in Research and Development:
3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE is used as a fluorescent probe or staining reagent in biological and biochemical studies. Its ability to emit fluorescence under certain conditions makes it a valuable tool for researchers in various scientific fields.
Used in Organic Synthesis:
3-(DIMETHYLAMINO)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE is used as a reactant in organic synthesis for the creation of new chemical compounds. Its versatile structure allows it to be a building block for a variety of organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 115955-48-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,9,5 and 5 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 115955-48:
(8*1)+(7*1)+(6*5)+(5*9)+(4*5)+(3*5)+(2*4)+(1*8)=141
141 % 10 = 1
So 115955-48-1 is a valid CAS Registry Number.

115955-48-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(dimethylamino)-1-(3-nitrophenyl)-2-propen-1-one

1.2 Other means of identification

Product number -
Other names -

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:115955-48-1 SDS

115955-48-1Relevant articles and documents

Assessment of new triplet forming artificial nucleobases as RNA ligands directed towards HCV IRES IIId loop

Safir Filho, Mauro,Martin, Anthony R.,Benhida, Rachid

, p. 1780 - 1783 (2017)

We report the synthesis of two new artificial nucleobase scaffolds, 1 and 2, featuring adequate hydrogen bonding donors and acceptors for the molecular recognition of U:A and C:G base pairs, respectively. The tethering of these structures to various amino acids and the assessment of these artificial nucleobase-amino acid conjugates as RNA ligands against a model of HCV IRES IIId domain are also reported. Compound 1e displayed the highest affinity (Kd twice lower than neomycin – control). Moreover, it appears that this interaction is enthalpically and entropically favored.

Selective Synthesis of Site-Differentiated Fe4S4 and Fe6S6 Clusters

McSkimming, Alex,Suess, Daniel L.M.

, p. 14904 - 14912 (2018)

Obtaining rational control over the structure and nuclearity of metalloclusters is an ongoing challenge in synthetic Fe-S cluster chemistry. We report a new family of tridentate imidazolin-2-imine ligands L(NImR)3 that can bind [Fe4S4]2+ or [Fe6S6]3+ clusters, depending on the steric profile of the ligand and the reaction stoichiometry. A high-yielding synthetic route to L(NImR)3 ligands (where R is the imidazolyl N substituents) from trianiline and 2-chloroimidazolium precursors is described. For L(NImMe)3 (tris(1,3,5-(3-(N,N-dimethyl-4,5-diphenylimidazolin-2-imino)phenylmethyl))benzene), metalation with 1 equiv of [Ph4P]2[Fe4S4Cl4] and 3 equiv of NaBPh4 furnishes a mixture of products, but adjusting the stoichiometry to 1.5 equiv of [Ph4P]2[Fe4S4Cl4] provides (L(NImMe)3)Fe6S6Cl6 in high yield. Formation of an [Fe6S6]3+ cluster using L(NImTol)3 (tris(1,3,5-(3-(N,N-bis(4-methylphenyl)-4,5-diphenylimidazolin-2-imino)phenylmethyl))benzene) is not observed; instead, the [Fe4S4]2+ cluster [(L(NImTol)3)(Fe4S4Cl)][BPh4] is cleanly generated when 1 equiv of [Ph4P]2[Fe4S4Cl4] is employed. The selectivity for cluster nuclearity is rationalized by the orientation of the imidazolyl rings whereby long N-imidazolyl substituents preclude formation of [Fe6S6]3+ clusters but not [Fe4S4]2+ clusters. Thus, the structure and nuclearity of L(NImR)3-bound Fe-S clusters may be selectively controlled through rational modification the ligand's substituents.

Design, synthesis, in silico, and in vitro evaluation of 3-phenylpyrazole acetamide derivatives as antimycobacterial agents

Gaikwad, Nikhil B.,Nirmale, Krishna,Sahoo, Santosh K.,Ahmad, Mohammad N.,Kaul, Grace,Shukla, Manjulika,Nanduri, Srinivas,Das Gupta, Arunava,Chopra, Sidharth,Yaddanapudi, Madhavi V.

, (2020/12/23)

Mycobacterium tuberculosis (Mtb) is one of the most dangerous pathogens affecting immunocompetent and immunocompromised patients worldwide. Novel molecules, which are efficient and can reduce the duration of therapy against drug-resistant strains, are an

COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF

-

Paragraph 0154, (2018/03/25)

Disclosed are a compound of the following formula (I) or a pharmaceutically acceptable salt thereof, a preparation method thereof, pharmaceutical compositions and uses thereof in the preparation of a medicine for inhibiting HIF prolyl hydroxylase or a medicine for promoting the generation of endogenous EPO, wherein in the formula (I), R1 and R2 are each independently hydrogen; R3 is hydrogen or C1-3 alkyl; and Ar is an aromatic ring or an heteroaromatic ring selected from a naphthalene ring, a pyridine ring, a thiophene ring, a furan ring and a substituted benzene ring.

Identification of pyrazolo[1,5-a]pyrimidine-3-carboxylates as B-Raf kinase inhibitors

Gopalsamy, Ariamala,Ciszewski, Greg,Hu, Yongbo,Lee, Frederick,Feldberg, Larry,Frommer, Eileen,Kim, Steven,Collins, Karen,Wojciechowicz, Donald,Mallon, Robert

scheme or table, p. 2735 - 2738 (2009/12/31)

B-Raf kinase plays a critical role in the Raf-MEK-ERK signaling pathway and inhibitors of B-Raf could be used in the treatment of melanomas, colorectal cancer, and other Ras related human cancers. We have identified novel small molecule pyrazolo[1,5-a]pyr

Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors

Gopalsamy, Ariamala,Ciszewski, Greg,Shi, Mengxiao,Berger, Dan,Hu, Yongbo,Lee, Frederick,Feldberg, Larry,Frommer, Eileen,Kim, Steven,Collins, Karen,Wojciechowicz, Donald,Mallon, Robert

scheme or table, p. 6890 - 6892 (2010/05/19)

Our continued effort towards optimization of the pyrazolo[1,5-a]pyrimidine scaffold as B-Raf kinase inhibitors is described. Structure guided design was utilized to introduce kinase hinge region interacting groups in the 2-position of the scaffold. This s

3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS

-

Page/Page column 38-39, (2009/08/16)

The present invention relates to 3-azabicyclo[3.1.0]hexane derivatives, which are useful as vanilloid receptor (VR) ligands, methods of treating diseases, conditions and/or disorders modulated by vanilloid receptors with them, and processes for preparing them.

Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof

-

Page/Page column 11, (2008/06/13)

The present invention relates to dihydropyrazolo[1,5-a]pyrimidine and dihydroimidazo[1,5-a]pyrimidine derivatives, compositions comprising an effective amount of a dihydropyrazolo[1,5-a]pyrimidine or a dihydroimidazo[1,5-a]pyrimidine derivative and method

Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof

-

Page/Page column 22, (2010/11/28)

The present invention relates to pyrazolo[1,5-a]pyrimidine derivatives, compositions comprising an effective amount of a pyrazolo[1,5-a]pyrimidine derivative and methods for treating or preventing cancer, comprising administering to a subject in need thereof an effective amount of a pyrazolo[1,5-a]pyrimidine derivative.

Method of using substituted pyrazolo [1,5-a] pyrimidines

-

Page/Page column 43, (2010/10/20)

This invention relates to novel methods of use of certain pyrazolo[1,5-a]pyrimidine compounds and the therapeutically acceptable salts thereof. This invention also relates to novel methods of using these compounds as anti-proliferative agents in mammals, including humans.

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